9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile

C37H23N3 — CID 134597735

IUPAC9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H23N3/c38-24-27-10-9-16-31-33-23-26(19-21-36(33)40(37(27)31)29-13-5-2-6-14-29)25-18-20-35-32(22-25)30-15-7-8-17-34(30)39(35)28-11-3-1-4-12-28/h1-23H
InChIKeyYBVMOOGOQAOALK-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

About 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile

9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile (PubChem CID 134597735) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile.

Molecular Properties

Compound Name9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
PubChem CID134597735
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
SMILESN#Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C37H23N3/c38-24-27-10-9-16-31-33-23-26(19-21-36(33)40(37(27)31)29-13-5-2-6-14-29)25-18-20-35-32(22-25)30-15-7-8-17-34(30)39(35)28-11-3-1-4-12-28/h1-23H
InChIKeyYBVMOOGOQAOALK-UHFFFAOYSA-N
XLogP9.42
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
CID 155131718
9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole-2-carbonitrile
CID 134597736
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
9-[5-[3-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-1-carbonitrile
CID 152797352
3-carbazol-9-yl-9-phenylcarbazole-1-carbonitrile
CID 134597706
2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile?
The IUPAC name of 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile (CID 134597735) is 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile.
What is the SMILES notation for 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile?
The canonical SMILES for 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile is N#Cc1cccc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n(-c3ccccc3)c12.
What is the InChIKey of 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile?
The InChIKey is YBVMOOGOQAOALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-27-10-9-16-31-33-23-26(19-21-36(33)40(37(27)31)29-13-5-2-6-14-29)25-18-20-35-32(22-25)30-15-7-8-17-34(30)39(35)28-11-3-1-4-12-28/h1-23H.
What are the key properties of 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile?
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile has a molecular weight of 509.61 g/mol, XLogP of 9.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile is sourced from PubChem (CID 134597735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).