8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile

C50H29N5 — CID 154958597

IUPAC8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-21-27-47-42(28-32)41-14-9-19-48(54-43-15-5-1-10-37(43)38-11-2-6-16-44(38)54)50(41)53(47)35-24-22-34(23-25-35)36-26-20-33(31-52)29-49(36)55-45-17-7-3-12-39(45)40-13-4-8-18-46(40)55/h1-29H
InChIKeyLRNHCSICOXRRSU-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile

8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 154958597) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID154958597
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-21-27-47-42(28-32)41-14-9-19-48(54-43-15-5-1-10-37(43)38-11-2-6-16-44(38)54)50(41)53(47)35-24-22-34(23-25-35)36-26-20-33(31-52)29-49(36)55-45-17-7-3-12-39(45)40-13-4-8-18-46(40)55/h1-29H
InChIKeyLRNHCSICOXRRSU-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
7-carbazol-9-yl-9-[2-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958797
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[4-[3-(2-carbazol-9-yl-4-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080699
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[5-cyano-2-[3-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155079936
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
3-carbazol-9-yl-4-[3-(4-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155081292

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile (CID 154958597) is 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc(-c2ccc(-n3c4ccc(C#N)cc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is LRNHCSICOXRRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-21-27-47-42(28-32)41-14-9-19-48(54-43-15-5-1-10-37(43)38-11-2-6-16-44(38)54)50(41)53(47)35-24-22-34(23-25-35)36-26-20-33(31-52)29-49(36)55-45-17-7-3-12-39(45)40-13-4-8-18-46(40)55/h1-29H.
What are the key properties of 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).