2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile

C55H34N4 — CID 122414489

IUPAC2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc32)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C55H34N4/c56-35-38-26-29-41(34-46(38)37-28-31-53-48(33-37)44-19-8-11-23-50(44)58(53)40-16-5-2-6-17-40)59-51-24-12-9-20-45(51)55-42(21-13-25-54(55)59)36-27-30-52-47(32-36)43-18-7-10-22-49(43)57(52)39-14-3-1-4-15-39/h1-34H
InChIKeyVCJXYNNXZRLPIJ-UHFFFAOYSA-N
MW750.91 g/mol
LogP14.18
Rot. Bonds5

About 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile

2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile (PubChem CID 122414489) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
PubChem CID122414489
Molecular FormulaC55H34N4
Molecular Weight750.91 g/mol
Exact Mass750.28
IUPAC Name2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc32)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C55H34N4/c56-35-38-26-29-41(34-46(38)37-28-31-53-48(33-37)44-19-8-11-23-50(44)58(53)40-16-5-2-6-17-40)59-51-24-12-9-20-45(51)55-42(21-13-25-54(55)59)36-27-30-52-47(32-36)43-18-7-10-22-49(43)57(52)39-14-3-1-4-15-39/h1-34H
InChIKeyVCJXYNNXZRLPIJ-UHFFFAOYSA-N
XLogP14.18
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.91
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
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CID 122414448
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
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CID 146187387
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
2-isocyano-4-[2-(9-phenylcarbazol-4-yl)carbazol-9-yl]benzonitrile
CID 161165462
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736
2-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazol-3-yl]benzonitrile
CID 155232661
9-phenyl-4-[7-[3-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]triphenylen-2-yl]carbazole
CID 126548022
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
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Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile (CID 122414489) is 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccccc3c3c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cccc32)cc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
The InChIKey is VCJXYNNXZRLPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c56-35-38-26-29-41(34-46(38)37-28-31-53-48(33-37)44-19-8-11-23-50(44)58(53)40-16-5-2-6-17-40)59-51-24-12-9-20-45(51)55-42(21-13-25-54(55)59)36-27-30-52-47(32-36)43-18-7-10-22-49(43)57(52)39-14-3-1-4-15-39/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile?
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile has a molecular weight of 750.91 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 122414489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).