N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

C285H200N24O — CID 163801750

IUPACN-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32
InChIInChI=1S/C70H47N5O.C58H41N5.C53H38N4.2C52H37N5/c1-70(2)57-41-49(48-27-18-28-50(40-48)69-72-67(46-23-8-4-9-24-46)71-68(73-69)47-25-10-5-11-26-47)37-38-60(57)75-61-39-36-45-22-12-13-30-53(45)64(61)56-42-51(43-58(70)65(56)75)74(59-33-16-14-29-52(59)44-20-6-3-7-21-44)62-34-19-32-55-54-31-15-17-35-63(54)76-66(55)62;1-58(2)49-35-43(57-60-55(40-21-9-4-10-22-40)59-56(61-57)42-24-17-23-41(34-42)38-18-7-3-8-19-38)31-32-51(49)63-52-33-30-39-20-15-16-29-47(39)53(52)48-36-46(37-50(58)54(48)63)62(44-25-11-5-12-26-44)45-27-13-6-14-28-45;1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41;1-52(2)43-31-37(51-54-49(35-18-7-3-8-19-35)53-50(55-51)36-20-9-4-10-21-36)28-29-45(43)57-46-30-27-34-17-15-16-26-41(34)47(46)42-32-40(33-44(52)48(42)57)56(38-22-11-5-12-23-38)39-24-13-6-14-25-39;1-52(2)42-29-35(36-30-46(44-21-11-13-27-53-44)55-47(31-36)45-22-12-14-28-54-45)24-25-48(42)57-49-26-23-34-15-9-10-20-40(34)50(49)41-32-39(33-43(52)51(41)57)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38/h3-43H,1-2H3;3-37H,1-2H3;3-34H,1-2H3;2*3-33H,1-2H3
InChIKeyNFOUDFJROIXBNP-UHFFFAOYSA-N
MW3976.90 g/mol
LogP73.67
Rot. Bonds33

About N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (PubChem CID 163801750) has the molecular formula C285H200N24O and a molecular weight of 3976.90 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
PubChem CID163801750
Molecular FormulaC285H200N24O
Molecular Weight3976.90 g/mol
Exact Mass3973.63
IUPAC NameN-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
SMILESCC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32
InChIInChI=1S/C70H47N5O.C58H41N5.C53H38N4.2C52H37N5/c1-70(2)57-41-49(48-27-18-28-50(40-48)69-72-67(46-23-8-4-9-24-46)71-68(73-69)47-25-10-5-11-26-47)37-38-60(57)75-61-39-36-45-22-12-13-30-53(45)64(61)56-42-51(43-58(70)65(56)75)74(59-33-16-14-29-52(59)44-20-6-3-7-21-44)62-34-19-32-55-54-31-15-17-35-63(54)76-66(55)62;1-58(2)49-35-43(57-60-55(40-21-9-4-10-22-40)59-56(61-57)42-24-17-23-41(34-42)38-18-7-3-8-19-38)31-32-51(49)63-52-33-30-39-20-15-16-29-47(39)53(52)48-36-46(37-50(58)54(48)63)62(44-25-11-5-12-26-44)45-27-13-6-14-28-45;1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41;1-52(2)43-31-37(51-54-49(35-18-7-3-8-19-35)53-50(55-51)36-20-9-4-10-21-36)28-29-45(43)57-46-30-27-34-17-15-16-26-41(34)47(46)42-32-40(33-44(52)48(42)57)56(38-22-11-5-12-23-38)39-24-13-6-14-25-39;1-52(2)42-29-35(36-30-46(44-21-11-13-27-53-44)55-47(31-36)45-22-12-14-28-54-45)24-25-48(42)57-49-26-23-34-15-9-10-20-40(34)50(49)41-32-39(33-43(52)51(41)57)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38/h3-43H,1-2H3;3-37H,1-2H3;3-34H,1-2H3;2*3-33H,1-2H3
InChIKeyNFOUDFJROIXBNP-UHFFFAOYSA-N
XLogP73.67
TPSA234.45 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds33
Heavy Atoms310
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003976.90
LogP ≤ 573.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The IUPAC name of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (CID 163801750) is N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The canonical SMILES for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is CC1(C)c2cc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.CC1(C)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4)c4ccccc4)cc1c32.
What is the InChIKey of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
The InChIKey is NFOUDFJROIXBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N5O.C58H41N5.C53H38N4.2C52H37N5/c1-70(2)57-41-49(48-27-18-28-50(40-48)69-72-67(46-23-8-4-9-24-46)71-68(73-69)47-25-10-5-11-26-47)37-38-60(57)75-61-39-36-45-22-12-13-30-53(45)64(61)56-42-51(43-58(70)65(56)75)74(59-33-16-14-29-52(59)44-20-6-3-7-21-44)62-34-19-32-55-54-31-15-17-35-63(54)76-66(55)62;1-58(2)49-35-43(57-60-55(40-21-9-4-10-22-40)59-56(61-57)42-24-17-23-41(34-42)38-18-7-3-8-19-38)31-32-51(49)63-52-33-30-39-20-15-16-29-47(39)53(52)48-36-46(37-50(58)54(48)63)62(44-25-11-5-12-26-44)45-27-13-6-14-28-45;1-53(2)45-32-36(37-29-38(47-21-11-13-27-54-47)31-39(30-37)48-22-12-14-28-55-48)24-25-49(45)57-50-26-23-35-15-9-10-20-43(35)51(50)44-33-42(34-46(53)52(44)57)56(40-16-5-3-6-17-40)41-18-7-4-8-19-41;1-52(2)43-31-37(51-54-49(35-18-7-3-8-19-35)53-50(55-51)36-20-9-4-10-21-36)28-29-45(43)57-46-30-27-34-17-15-16-26-41(34)47(46)42-32-40(33-44(52)48(42)57)56(38-22-11-5-12-23-38)39-24-13-6-14-25-39;1-52(2)42-29-35(36-30-46(44-21-11-13-27-53-44)55-47(31-36)45-22-12-14-28-54-45)24-25-48(42)57-49-26-23-34-15-9-10-20-40(34)50(49)41-32-39(33-43(52)51(41)57)56(37-16-5-3-6-17-37)38-18-7-4-8-19-38/h3-43H,1-2H3;3-37H,1-2H3;3-34H,1-2H3;2*3-33H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?
N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine has a molecular weight of 3976.90 g/mol, XLogP of 73.67, 33 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;8,8-dimethyl-N,N-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(3,5-dipyridin-2-ylphenyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine;5-(2,6-dipyridin-2-yl-4-pyridinyl)-8,8-dimethyl-N,N-diphenyl-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 163801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).