3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile

C97H63N5 — CID 159170044

IUPAC3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H36N2.C43H27N3/c1-5-13-37(14-6-1)41-25-29-51-47(33-41)49-35-43(27-31-53(49)55(51)45-17-9-3-10-18-45)39-21-23-40(24-22-39)44-28-32-54-50(36-44)48-34-42(38-15-7-2-8-16-38)26-30-52(48)56(54)46-19-11-4-12-20-46;44-28-29-15-22-41-37(25-29)39-27-33(21-24-43(39)46(41)35-11-5-2-6-12-35)31-18-16-30(17-19-31)32-20-23-42-38(26-32)36-13-7-8-14-40(36)45(42)34-9-3-1-4-10-34/h1-36H;1-27H
InChIKeyKLOLDGCYYDGGHA-UHFFFAOYSA-N
MW1298.61 g/mol
LogP25.64
Rot. Bonds10

About 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile (PubChem CID 159170044) has the molecular formula C97H63N5 and a molecular weight of 1298.61 g/mol. Its IUPAC name is 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
PubChem CID159170044
Molecular FormulaC97H63N5
Molecular Weight1298.61 g/mol
Exact Mass1297.51
IUPAC Name3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H36N2.C43H27N3/c1-5-13-37(14-6-1)41-25-29-51-47(33-41)49-35-43(27-31-53(49)55(51)45-17-9-3-10-18-45)39-21-23-40(24-22-39)44-28-32-54-50(36-44)48-34-42(38-15-7-2-8-16-38)26-30-52(48)56(54)46-19-11-4-12-20-46;44-28-29-15-22-41-37(25-29)39-27-33(21-24-43(39)46(41)35-11-5-2-6-12-35)31-18-16-30(17-19-31)32-20-23-42-38(26-32)36-13-7-8-14-40(36)45(42)34-9-3-1-4-10-34/h1-36H;1-27H
InChIKeyKLOLDGCYYDGGHA-UHFFFAOYSA-N
XLogP25.64
TPSA43.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.61
LogP ≤ 525.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
2-methyl-6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;2-methyl-7-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;6-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole-3-carbonitrile
CID 160584678
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
6-isocyano-9-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazole-3-carbonitrile
CID 123627774
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile (CID 159170044) is 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)ccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)ccc5n6-c5ccccc5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile?
The InChIKey is KLOLDGCYYDGGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2.C43H27N3/c1-5-13-37(14-6-1)41-25-29-51-47(33-41)49-35-43(27-31-53(49)55(51)45-17-9-3-10-18-45)39-21-23-40(24-22-39)44-28-32-54-50(36-44)48-34-42(38-15-7-2-8-16-38)26-30-52(48)56(54)46-19-11-4-12-20-46;44-28-29-15-22-41-37(25-29)39-27-33(21-24-43(39)46(41)35-11-5-2-6-12-35)31-18-16-30(17-19-31)32-20-23-42-38(26-32)36-13-7-8-14-40(36)45(42)34-9-3-1-4-10-34/h1-36H;1-27H.
What are the key properties of 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile?
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile has a molecular weight of 1298.61 g/mol, XLogP of 25.64, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 159170044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).