9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile

C50H29N5 — CID 154958854

IUPAC9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1
InChIInChI=1S/C50H29N5/c51-30-33-11-9-21-47(49(33)32-23-25-35(26-24-32)53-45-20-8-4-16-40(45)50-34(31-52)12-10-22-48(50)53)55-44-19-7-3-15-39(44)41-29-36(27-28-46(41)55)54-42-17-5-1-13-37(42)38-14-2-6-18-43(38)54/h1-29H
InChIKeyWRZMPGUHNYXMFG-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile

9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile (PubChem CID 154958854) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile.

Molecular Properties

Compound Name9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
PubChem CID154958854
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1
InChIInChI=1S/C50H29N5/c51-30-33-11-9-21-47(49(33)32-23-25-35(26-24-32)53-45-20-8-4-16-40(45)50-34(31-52)12-10-22-48(50)53)55-44-19-7-3-15-39(44)41-29-36(27-28-46(41)55)54-42-17-5-1-13-37(42)38-14-2-6-18-43(38)54/h1-29H
InChIKeyWRZMPGUHNYXMFG-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-[2-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 149260154
9-[2-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 147595395
9-[2-[2-(4-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155079506
3-carbazol-9-yl-2-[4-(4-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155079568
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3,5-dicarbonitrile
CID 155080017
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958469
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile;9-[3-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-4-carbonitrile
CID 159235947
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-[4-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081587

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The IUPAC name of 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile (CID 154958854) is 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile.
What is the SMILES notation for 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The canonical SMILES for 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile is N#Cc1cccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1-c1ccc(-n2c3ccccc3c3c(C#N)cccc32)cc1.
What is the InChIKey of 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
The InChIKey is WRZMPGUHNYXMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-33-11-9-21-47(49(33)32-23-25-35(26-24-32)53-45-20-8-4-16-40(45)50-34(31-52)12-10-22-48(50)53)55-44-19-7-3-15-39(44)41-29-36(27-28-46(41)55)54-42-17-5-1-13-37(42)38-14-2-6-18-43(38)54/h1-29H.
What are the key properties of 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile?
9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-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 9-[4-[2-(3-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-4-carbonitrile is sourced from PubChem (CID 154958854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).