9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile

C50H29N5 — CID 154958354

IUPAC9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccccc2-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-25-27-47(41(28-32)38-16-5-9-21-45(38)54-44-20-8-3-14-36(44)39-26-24-33(31-52)29-49(39)54)55-46-22-10-4-15-37(46)40-17-11-23-48(50(40)55)53-42-18-6-1-12-34(42)35-13-2-7-19-43(35)53/h1-29H
InChIKeyHTLPWACZPVDVFO-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile

9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile (PubChem CID 154958354) 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)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
PubChem CID154958354
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccccc2-n2c3ccccc3c3ccc(C#N)cc32)c1
InChIInChI=1S/C50H29N5/c51-30-32-25-27-47(41(28-32)38-16-5-9-21-45(38)54-44-20-8-3-14-36(44)39-26-24-33(31-52)29-49(39)54)55-46-22-10-4-15-37(46)40-17-11-23-48(50(40)55)53-42-18-6-1-12-34(42)35-13-2-7-19-43(35)53/h1-29H
InChIKeyHTLPWACZPVDVFO-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-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958564
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958355
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974

Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The IUPAC name of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile (CID 154958354) is 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile is N#Cc1ccc(-n2c3ccccc3c3cccc(-n4c5ccccc5c5ccccc54)c32)c(-c2ccccc2-n2c3ccccc3c3ccc(C#N)cc32)c1.
What is the InChIKey of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
The InChIKey is HTLPWACZPVDVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-25-27-47(41(28-32)38-16-5-9-21-45(38)54-44-20-8-3-14-36(44)39-26-24-33(31-52)29-49(39)54)55-46-22-10-4-15-37(46)40-17-11-23-48(50(40)55)53-42-18-6-1-12-34(42)35-13-2-7-19-43(35)53/h1-29H.
What are the key properties of 9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile?
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-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)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile is sourced from PubChem (CID 154958354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).