9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile

C50H29N5 — CID 154958355

IUPAC9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3c(C#N)cccc3-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-27-28-38-36-16-3-8-22-43(36)54(48(38)29-32)45-24-10-5-18-40(45)49-33(31-52)13-11-25-46(49)55-44-23-9-4-17-37(44)39-19-12-26-47(50(39)55)53-41-20-6-1-14-34(41)35-15-2-7-21-42(35)53/h1-29H
InChIKeyLUMXFUOIRHBIBN-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile

9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 154958355) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
PubChem CID154958355
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc2c3ccccc3n(-c3ccccc3-c3c(C#N)cccc3-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2c1
InChIInChI=1S/C50H29N5/c51-30-32-27-28-38-36-16-3-8-22-43(36)54(48(38)29-32)45-24-10-5-18-40(45)49-33(31-52)13-11-25-46(49)55-44-23-9-4-17-37(44)39-19-12-26-47(50(39)55)53-41-20-6-1-14-34(41)35-15-2-7-21-42(35)53/h1-29H
InChIKeyLUMXFUOIRHBIBN-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-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
9-[2-[2-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 148897475
9-[4-[4-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-2-carbonitrile
CID 155081355
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[4-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079670
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile (CID 154958355) is 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc2c3ccccc3n(-c3ccccc3-c3c(C#N)cccc3-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2c1.
What is the InChIKey of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is LUMXFUOIRHBIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-27-28-38-36-16-3-8-22-43(36)54(48(38)29-32)45-24-10-5-18-40(45)49-33(31-52)13-11-25-46(49)55-44-23-9-4-17-37(44)39-19-12-26-47(50(39)55)53-41-20-6-1-14-34(41)35-15-2-7-21-42(35)53/h1-29H.
What are the key properties of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile?
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-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-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).