2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile

C37H23N3 — CID 138653750

IUPAC2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H23N3/c38-24-32-27(17-10-22-37(32)40-35-20-7-3-15-30(35)31-16-4-8-21-36(31)40)25-11-9-12-26(23-25)39-33-18-5-1-13-28(33)29-14-2-6-19-34(29)39/h1-23H
InChIKeyNVRMEJDYWSXNCZ-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.42
Rot. Bonds3

About 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile

2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile (PubChem CID 138653750) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
PubChem CID138653750
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
SMILESN#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H23N3/c38-24-32-27(17-10-22-37(32)40-35-20-7-3-15-30(35)31-16-4-8-21-36(31)40)25-11-9-12-26(23-25)39-33-18-5-1-13-28(33)29-14-2-6-19-34(29)39/h1-23H
InChIKeyNVRMEJDYWSXNCZ-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

2-(2-carbazol-9-ylphenyl)-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 155081407
9-[3-[3-(4-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147223871
9-[3-[3-(2-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 155080518
2-carbazol-9-yl-6-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 129290941
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
2-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-(4-isocyanocarbazol-9-yl)benzonitrile
CID 177256897
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3-(3-carbazol-9-ylphenyl)-6-(10-phenylanthracen-9-yl)benzene-1,2-dicarbonitrile
CID 167336318
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile?
The IUPAC name of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile (CID 138653750) is 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile.
What is the SMILES notation for 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile?
The canonical SMILES for 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile is N#Cc1c(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile?
The InChIKey is NVRMEJDYWSXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c38-24-32-27(17-10-22-37(32)40-35-20-7-3-15-30(35)31-16-4-8-21-36(31)40)25-11-9-12-26(23-25)39-33-18-5-1-13-28(33)29-14-2-6-19-34(29)39/h1-23H.
What are the key properties of 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile?
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile 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 2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile is sourced from PubChem (CID 138653750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).