9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine

C299H191N19O8S3 — CID 164958194

IUPAC9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)c4oc5cc(N(c6ccccc6)c6ccccc6)ccc5c4c3)cc(N(c3ccccc3)c3ccc4nn(-c5ccccc5)nc4c3)c2)cc1.c1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4nc5ccc6ccccc6c5s4)cc3)c3c(c2)oc2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(-c2cc3ccccc3c3c2=NC(c2cccc(N(c4ccccc4)c4ccc5cc6c(cc5c4)oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c46)c2)N=3)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5cccc(-c6ccc7ccc8ocnc8c7c6)c5)c5ccc6ccccc6c5)ccc4c3c3ccccc23)cc1.c1ccc2oc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5oc6cc7cc(N(c8ccc(-c9nc%10ccccc%10o9)cc8)c8ccc9sc%10ccccc%10c9c8)ccc7cc6c5c4)cc3)nc2c1
InChIInChI=1S/C66H38N4O3S2.C61H40N4O.C60H41N5O.C59H37N3O2.C53H35N3OS/c1-7-15-61-49(9-1)51-30-27-48(38-64(51)75-61)70(44-24-19-40(20-25-44)66-68-56-12-4-6-14-59(56)73-66)46-28-31-57-53(36-46)52-34-41-21-26-45(33-42(41)35-60(52)71-57)69(47-29-32-63-54(37-47)50-10-2-8-16-62(50)74-63)43-22-17-39(18-23-43)65-67-55-11-3-5-13-58(55)72-65;1-5-18-40(19-6-1)53-37-42-20-13-14-29-50(42)59-60(53)63-61(62-59)43-21-17-28-48(34-43)64(45-22-7-2-8-23-45)49-33-32-41-36-54-56(38-44(41)35-49)66-57-39-55(51-30-15-16-31-52(51)58(54)57)65(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-7-19-42(20-8-1)44-35-45(37-53(36-44)64(49-27-15-5-16-28-49)51-32-34-57-58(40-51)62-65(61-57)50-29-17-6-18-30-50)46-38-55(43-21-9-2-10-22-43)60-56(39-46)54-33-31-52(41-59(54)66-60)63(47-23-11-3-12-24-47)48-25-13-4-14-26-48;1-2-16-45(17-3-1)62(48-27-24-39-12-5-7-14-42(39)32-48)54-36-57-58(51-20-9-8-19-50(51)54)52-29-28-49(35-56(52)64-57)61(47-26-23-38-11-4-6-13-41(38)31-47)46-18-10-15-43(33-46)44-22-21-40-25-30-55-59(53(40)34-44)60-37-63-55;1-5-15-36(16-6-1)39-33-48(51-46-31-30-44(35-49(46)57-50(51)34-39)55(40-18-7-2-8-19-40)41-20-9-3-10-21-41)56(42-22-11-4-12-23-42)43-28-25-38(26-29-43)53-54-47-32-27-37-17-13-14-24-45(37)52(47)58-53/h1-38H;1-39,61H;1-41H;1-37H;1-35H
InChIKeyBLOWIWFVGQBPTF-UHFFFAOYSA-N
MW4274.14 g/mol
LogP84.46
Rot. Bonds41

About 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine

9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine (PubChem CID 164958194) has the molecular formula C299H191N19O8S3 and a molecular weight of 4274.14 g/mol. Its IUPAC name is 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine.

Molecular Properties

Compound Name9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
PubChem CID164958194
Molecular FormulaC299H191N19O8S3
Molecular Weight4274.14 g/mol
Exact Mass4270.43
IUPAC Name9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
SMILESc1ccc(-c2cc(-c3cc(-c4ccccc4)c4oc5cc(N(c6ccccc6)c6ccccc6)ccc5c4c3)cc(N(c3ccccc3)c3ccc4nn(-c5ccccc5)nc4c3)c2)cc1.c1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4nc5ccc6ccccc6c5s4)cc3)c3c(c2)oc2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(-c2cc3ccccc3c3c2=NC(c2cccc(N(c4ccccc4)c4ccc5cc6c(cc5c4)oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c46)c2)N=3)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5cccc(-c6ccc7ccc8ocnc8c7c6)c5)c5ccc6ccccc6c5)ccc4c3c3ccccc23)cc1.c1ccc2oc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5oc6cc7cc(N(c8ccc(-c9nc%10ccccc%10o9)cc8)c8ccc9sc%10ccccc%10c9c8)ccc7cc6c5c4)cc3)nc2c1
InChIInChI=1S/C66H38N4O3S2.C61H40N4O.C60H41N5O.C59H37N3O2.C53H35N3OS/c1-7-15-61-49(9-1)51-30-27-48(38-64(51)75-61)70(44-24-19-40(20-25-44)66-68-56-12-4-6-14-59(56)73-66)46-28-31-57-53(36-46)52-34-41-21-26-45(33-42(41)35-60(52)71-57)69(47-29-32-63-54(37-47)50-10-2-8-16-62(50)74-63)43-22-17-39(18-23-43)65-67-55-11-3-5-13-58(55)72-65;1-5-18-40(19-6-1)53-37-42-20-13-14-29-50(42)59-60(53)63-61(62-59)43-21-17-28-48(34-43)64(45-22-7-2-8-23-45)49-33-32-41-36-54-56(38-44(41)35-49)66-57-39-55(51-30-15-16-31-52(51)58(54)57)65(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-7-19-42(20-8-1)44-35-45(37-53(36-44)64(49-27-15-5-16-28-49)51-32-34-57-58(40-51)62-65(61-57)50-29-17-6-18-30-50)46-38-55(43-21-9-2-10-22-43)60-56(39-46)54-33-31-52(41-59(54)66-60)63(47-23-11-3-12-24-47)48-25-13-4-14-26-48;1-2-16-45(17-3-1)62(48-27-24-39-12-5-7-14-42(39)32-48)54-36-57-58(51-20-9-8-19-50(51)54)52-29-28-49(35-56(52)64-57)61(47-26-23-38-11-4-6-13-41(38)31-47)46-18-10-15-43(33-46)44-22-21-40-25-30-55-59(53(40)34-44)60-37-63-55;1-5-15-36(16-6-1)39-33-48(51-46-31-30-44(35-49(46)57-50(51)34-39)55(40-18-7-2-8-19-40)41-20-9-3-10-21-41)56(42-22-11-4-12-23-42)43-28-25-38(26-29-43)53-54-47-32-27-37-17-13-14-24-45(37)52(47)58-53/h1-38H;1-39,61H;1-41H;1-37H;1-35H
InChIKeyBLOWIWFVGQBPTF-UHFFFAOYSA-N
XLogP84.46
TPSA244.51 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds41
Heavy Atoms329
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004274.14
LogP ≤ 584.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?
The IUPAC name of 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine (CID 164958194) is 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine.
What is the SMILES notation for 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?
The canonical SMILES for 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine is c1ccc(-c2cc(-c3cc(-c4ccccc4)c4oc5cc(N(c6ccccc6)c6ccccc6)ccc5c4c3)cc(N(c3ccccc3)c3ccc4nn(-c5ccccc5)nc4c3)c2)cc1.c1ccc(-c2cc(N(c3ccccc3)c3ccc(-c4nc5ccc6ccccc6c5s4)cc3)c3c(c2)oc2cc(N(c4ccccc4)c4ccccc4)ccc23)cc1.c1ccc(-c2cc3ccccc3c3c2=NC(c2cccc(N(c4ccccc4)c4ccc5cc6c(cc5c4)oc4cc(N(c5ccccc5)c5ccccc5)c5ccccc5c46)c2)N=3)cc1.c1ccc(N(c2ccc3ccccc3c2)c2cc3oc4cc(N(c5cccc(-c6ccc7ccc8ocnc8c7c6)c5)c5ccc6ccccc6c5)ccc4c3c3ccccc23)cc1.c1ccc2oc(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4ccc5oc6cc7cc(N(c8ccc(-c9nc%10ccccc%10o9)cc8)c8ccc9sc%10ccccc%10c9c8)ccc7cc6c5c4)cc3)nc2c1.
What is the InChIKey of 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?
The InChIKey is BLOWIWFVGQBPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4O3S2.C61H40N4O.C60H41N5O.C59H37N3O2.C53H35N3OS/c1-7-15-61-49(9-1)51-30-27-48(38-64(51)75-61)70(44-24-19-40(20-25-44)66-68-56-12-4-6-14-59(56)73-66)46-28-31-57-53(36-46)52-34-41-21-26-45(33-42(41)35-60(52)71-57)69(47-29-32-63-54(37-47)50-10-2-8-16-62(50)74-63)43-22-17-39(18-23-43)65-67-55-11-3-5-13-58(55)72-65;1-5-18-40(19-6-1)53-37-42-20-13-14-29-50(42)59-60(53)63-61(62-59)43-21-17-28-48(34-43)64(45-22-7-2-8-23-45)49-33-32-41-36-54-56(38-44(41)35-49)66-57-39-55(51-30-15-16-31-52(51)58(54)57)65(46-24-9-3-10-25-46)47-26-11-4-12-27-47;1-7-19-42(20-8-1)44-35-45(37-53(36-44)64(49-27-15-5-16-28-49)51-32-34-57-58(40-51)62-65(61-57)50-29-17-6-18-30-50)46-38-55(43-21-9-2-10-22-43)60-56(39-46)54-33-31-52(41-59(54)66-60)63(47-23-11-3-12-24-47)48-25-13-4-14-26-48;1-2-16-45(17-3-1)62(48-27-24-39-12-5-7-14-42(39)32-48)54-36-57-58(51-20-9-8-19-50(51)54)52-29-28-49(35-56(52)64-57)61(47-26-23-38-11-4-6-13-41(38)31-47)46-18-10-15-43(33-46)44-22-21-40-25-30-55-59(53(40)34-44)60-37-63-55;1-5-15-36(16-6-1)39-33-48(51-46-31-30-44(35-49(46)57-50(51)34-39)55(40-18-7-2-8-19-40)41-20-9-3-10-21-41)56(42-22-11-4-12-23-42)43-28-25-38(26-29-43)53-54-47-32-27-37-17-13-14-24-45(37)52(47)58-53/h1-38H;1-39,61H;1-41H;1-37H;1-35H.
What are the key properties of 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine?
9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine has a molecular weight of 4274.14 g/mol, XLogP of 84.46, 41 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-(3-benzo[e][1,3]benzoxazol-8-ylphenyl)-5-N,9-N-dinaphthalen-2-yl-5-N-phenylnaphtho[2,1-b][1]benzofuran-5,9-diamine;1-N-(4-benzo[g][1,3]benzothiazol-2-ylphenyl)-1-N,7-N,7-N,3-tetraphenyldibenzofuran-1,7-diamine;2-N,8-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-8-N-dibenzothiophen-2-yl-2-N-dibenzothiophen-3-ylnaphtho[3,2-b][1]benzofuran-2,8-diamine;N,2-diphenyl-N-[3-phenyl-5-[4-phenyl-7-(N-phenylanilino)dibenzofuran-2-yl]phenyl]benzotriazol-5-amine;9-N,9-N,17-N-triphenyl-17-N-[3-(4-phenyl-2H-benzo[e]benzimidazol-2-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine is sourced from PubChem (CID 164958194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).