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

C50H29N5 — CID 154958782

IUPAC5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(-n3c4ccccc4c4ccccc43)cccc1n2-c1ccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H29N5/c51-30-32-20-27-46-41(28-32)50-47(18-9-19-48(50)54-42-14-5-1-10-37(42)38-11-2-6-15-43(38)54)53(46)36-25-23-33(24-26-36)34-21-22-35(31-52)49(29-34)55-44-16-7-3-12-39(44)40-13-4-8-17-45(40)55/h1-29H
InChIKeyPETSOADLVVEPJD-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile

5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 154958782) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID154958782
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1c(-n3c4ccccc4c4ccccc43)cccc1n2-c1ccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C50H29N5/c51-30-32-20-27-46-41(28-32)50-47(18-9-19-48(50)54-42-14-5-1-10-37(42)38-11-2-6-15-43(38)54)53(46)36-25-23-33(24-26-36)34-21-22-35(31-52)49(29-34)55-44-16-7-3-12-39(44)40-13-4-8-17-45(40)55/h1-29H
InChIKeyPETSOADLVVEPJD-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-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
9-[9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 149264127
9-[2-[2-cyano-5-[4-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155080052
9-[9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3-carbonitrile
CID 147828212
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081553
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[2-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-4-carbonitrile
CID 154958609
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

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile (CID 154958782) is 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1c(-n3c4ccccc4c4ccccc43)cccc1n2-c1ccc(-c2ccc(C#N)c(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is PETSOADLVVEPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-20-27-46-41(28-32)50-47(18-9-19-48(50)54-42-14-5-1-10-37(42)38-11-2-6-15-43(38)54)53(46)36-25-23-33(24-26-36)34-21-22-35(31-52)49(29-34)55-44-16-7-3-12-39(44)40-13-4-8-17-45(40)55/h1-29H.
What are the key properties of 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile?
5-carbazol-9-yl-9-[4-(3-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 5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).