3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine

C192H120N12O — CID 162167735

IUPAC3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)ccc34)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)c2)c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1n1c3ccccc3c3c4ccccc4n2c31
InChIInChI=1S/C62H39N3.C56H35N3O.C42H27N3.C32H19N3/c1-3-18-46-40(14-1)16-11-24-48(46)42-30-34-44(35-31-42)63(45-36-32-43(33-37-45)49-25-12-17-41-15-2-4-19-47(41)49)58-39-38-51(50-20-5-6-21-52(50)58)53-26-13-29-59-61(53)65-57-28-10-8-23-55(57)60-54-22-7-9-27-56(54)64(59)62(60)65;1-3-12-36(13-4-1)38-22-27-41(28-23-38)57(42-29-24-39(25-30-42)37-14-5-2-6-15-37)43-31-33-46-45-32-26-40(34-52(45)60-53(46)35-43)44-18-11-21-51-55(44)59-50-20-10-8-17-48(50)54-47-16-7-9-19-49(47)58(51)56(54)59;1-2-16-30(17-3-1)43(36-25-11-14-28-13-4-5-19-32(28)36)31-18-10-15-29(27-31)33-22-12-26-39-41(33)45-38-24-9-7-21-35(38)40-34-20-6-8-23-37(34)44(39)42(40)45;1-5-14-24-20(10-1)21-11-2-6-15-25(21)33(24)28-18-9-19-29-31(28)35-27-17-8-4-13-23(27)30-22-12-3-7-16-26(22)34(29)32(30)35/h1-39H;1-35H;1-27H;1-19H
InChIKeyZNJBIQMWZGNBIY-UHFFFAOYSA-N
MW2611.15 g/mol
LogP52.05
Rot. Bonds17

About 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine

3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 162167735) has the molecular formula C192H120N12O and a molecular weight of 2611.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine
PubChem CID162167735
Molecular FormulaC192H120N12O
Molecular Weight2611.15 g/mol
Exact Mass2608.97
IUPAC Name3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)ccc34)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)c2)c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1n1c3ccccc3c3c4ccccc4n2c31
InChIInChI=1S/C62H39N3.C56H35N3O.C42H27N3.C32H19N3/c1-3-18-46-40(14-1)16-11-24-48(46)42-30-34-44(35-31-42)63(45-36-32-43(33-37-45)49-25-12-17-41-15-2-4-19-47(41)49)58-39-38-51(50-20-5-6-21-52(50)58)53-26-13-29-59-61(53)65-57-28-10-8-23-55(57)60-54-22-7-9-27-56(54)64(59)62(60)65;1-3-12-36(13-4-1)38-22-27-41(28-23-38)57(42-29-24-39(25-30-42)37-14-5-2-6-15-37)43-31-33-46-45-32-26-40(34-52(45)60-53(46)35-43)44-18-11-21-51-55(44)59-50-20-10-8-17-48(50)54-47-16-7-9-19-49(47)58(51)56(54)59;1-2-16-30(17-3-1)43(36-25-11-14-28-13-4-5-19-32(28)36)31-18-10-15-29(27-31)33-22-12-26-39-41(33)45-38-24-9-7-21-35(38)40-34-20-6-8-23-37(34)44(39)42(40)45;1-5-14-24-20(10-1)21-11-2-6-15-25(21)33(24)28-18-9-19-29-31(28)35-27-17-8-4-13-23(27)30-22-12-3-7-16-26(22)34(29)32(30)35/h1-39H;1-35H;1-27H;1-19H
InChIKeyZNJBIQMWZGNBIY-UHFFFAOYSA-N
XLogP52.05
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002611.15
LogP ≤ 552.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
CID 162191743
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N,N-bis(4-naphthalen-1-ylphenyl)-4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)aniline;N-naphthalen-1-yl-7-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]dibenzofuran-3-amine;N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine;N-[3-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)pyridin-4-amine;4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-5-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 162039513
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 167227719
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-(4-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline;N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 161394425
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzofuran-3-yl-N-(4-phenylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine;N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-3-amine
CID 160847054
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-3-phenylaniline
CID 153314590
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(2-naphthalen-1-ylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2-phenylaniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(3-phenylphenyl)aniline;N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenylphenyl)aniline
CID 158595337
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-9-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(4-phenylphenyl)benzo[g]carbazol-9-amine;7-phenyl-N,N-bis(4-phenylphenyl)benzo[g]carbazol-9-amine;7-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[g]carbazol-9-amine
CID 165067674
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N,4-diphenylaniline
CID 153286399
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(2-dibenzofuran-3-ylphenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 153314841

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine (CID 162167735) is 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)oc3cc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)ccc34)cc2)cc1.c1ccc(N(c2cccc(-c3cccc4c3n3c5ccccc5c5c6ccccc6n4c53)c2)c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5n5c7ccccc7c7c8ccccc8n6c75)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)c1ccccc1n2-c1cccc2c1n1c3ccccc3c3c4ccccc4n2c31.
What is the InChIKey of 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is ZNJBIQMWZGNBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3.C56H35N3O.C42H27N3.C32H19N3/c1-3-18-46-40(14-1)16-11-24-48(46)42-30-34-44(35-31-42)63(45-36-32-43(33-37-45)49-25-12-17-41-15-2-4-19-47(41)49)58-39-38-51(50-20-5-6-21-52(50)58)53-26-13-29-59-61(53)65-57-28-10-8-23-55(57)60-54-22-7-9-27-56(54)64(59)62(60)65;1-3-12-36(13-4-1)38-22-27-41(28-23-38)57(42-29-24-39(25-30-42)37-14-5-2-6-15-37)43-31-33-46-45-32-26-40(34-52(45)60-53(46)35-43)44-18-11-21-51-55(44)59-50-20-10-8-17-48(50)54-47-16-7-9-19-49(47)58(51)56(54)59;1-2-16-30(17-3-1)43(36-25-11-14-28-13-4-5-19-32(28)36)31-18-10-15-29(27-31)33-22-12-26-39-41(33)45-38-24-9-7-21-35(38)40-34-20-6-8-23-37(34)44(39)42(40)45;1-5-14-24-20(10-1)21-11-2-6-15-25(21)33(24)28-18-9-19-29-31(28)35-27-17-8-4-13-23(27)30-22-12-3-7-16-26(22)34(29)32(30)35/h1-39H;1-35H;1-27H;1-19H.
What are the key properties of 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine?
3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 2611.15 g/mol, XLogP of 52.05, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaene;4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine;7-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;N-[3-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 162167735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).