N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

C120H68N18 — CID 159041351

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILES[C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1[N+]#[C-].c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H34N4.C48H34N2.C18N12/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-44-20-9-11-21-47(44)55-54(56-53)58-50-31-29-40(34-46(50)52-42-18-8-7-15-37(42)27-32-51(52)58)39-28-30-49-45(33-39)43-19-10-12-22-48(43)57(49)41-16-5-2-6-17-41;1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;1-23-17-18(24-2)30-16-14-12(26-8(4-20)10(6-22)28-14)11-13(15(16)29-17)27-9(5-21)7(3-19)25-11/h1-34H;1-34H;
InChIKeyJWCFGNUOJXMKLQ-UHFFFAOYSA-N
MW1761.99 g/mol
LogP29.34
Rot. Bonds12

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 159041351) has the molecular formula C120H68N18 and a molecular weight of 1761.99 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID159041351
Molecular FormulaC120H68N18
Molecular Weight1761.99 g/mol
Exact Mass1760.59
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILES[C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1[N+]#[C-].c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H34N4.C48H34N2.C18N12/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-44-20-9-11-21-47(44)55-54(56-53)58-50-31-29-40(34-46(50)52-42-18-8-7-15-37(42)27-32-51(52)58)39-28-30-49-45(33-39)43-19-10-12-22-48(43)57(49)41-16-5-2-6-17-41;1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;1-23-17-18(24-2)30-16-14-12(26-8(4-20)10(6-22)28-14)11-13(15(16)29-17)27-9(5-21)7(3-19)25-11/h1-34H;1-34H;
InChIKeyJWCFGNUOJXMKLQ-UHFFFAOYSA-N
XLogP29.34
TPSA225.03 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.99
LogP ≤ 529.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 160955746
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
7-(4-naphthalen-2-ylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 164784298
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;11,16,17-triisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10-tricarbonitrile
CID 158581163
7-(4-tert-butylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 147850713
7-phenyl-10-[9-(4-phenylbenzo[h]quinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 155153254
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
10-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 161241392
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 159041351) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is [C-]#[N+]c1nc2c3nc(C#N)c(C#N)nc3c3nc(C#N)c(C#N)nc3c2nc1[N+]#[C-].c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is JWCFGNUOJXMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4.C48H34N2.C18N12/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-44-20-9-11-21-47(44)55-54(56-53)58-50-31-29-40(34-46(50)52-42-18-8-7-15-37(42)27-32-51(52)58)39-28-30-49-45(33-39)43-19-10-12-22-48(43)57(49)41-16-5-2-6-17-41;1-3-11-35(12-4-1)37-19-27-41(28-20-37)49(42-29-21-38(22-30-42)36-13-5-2-6-14-36)43-31-23-39(24-32-43)40-25-33-44(34-26-40)50-47-17-9-7-15-45(47)46-16-8-10-18-48(46)50;1-23-17-18(24-2)30-16-14-12(26-8(4-20)10(6-22)28-14)11-13(15(16)29-17)27-9(5-21)7(3-19)25-11/h1-34H;1-34H;.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 1761.99 g/mol, XLogP of 29.34, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;16,17-diisocyano-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,11-tetracarbonitrile;10-(9-phenylcarbazol-3-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 159041351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).