9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile

C45H27N3 — CID 167401465

IUPAC9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2ccccc2)c1-c1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C45H27N3/c46-27-29-22-25-42-40(26-29)35-16-10-11-21-41(35)48(42)45-31(28-47)23-24-32(30-12-2-1-3-13-30)44(45)39-20-9-8-19-38(39)43-36-17-6-4-14-33(36)34-15-5-7-18-37(34)43/h1-26,43H
InChIKeyWJILQOFFYXYKSE-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.02
Rot. Bonds4

About 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile

9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile (PubChem CID 167401465) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile
PubChem CID167401465
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2ccccc2)c1-c1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C45H27N3/c46-27-29-22-25-42-40(26-29)35-16-10-11-21-41(35)48(42)45-31(28-47)23-24-32(30-12-2-1-3-13-30)44(45)39-20-9-8-19-38(39)43-36-17-6-4-14-33(36)34-15-5-7-18-37(34)43/h1-26,43H
InChIKeyWJILQOFFYXYKSE-UHFFFAOYSA-N
XLogP11.02
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155604429
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
3-[7-(4-phenylphenyl)indolo[2,3-b]carbazol-5-yl]pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,12-dicarbonitrile
CID 168896969
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081749
9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]carbazole-3-carbonitrile
CID 146281051
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
CID 140903234
3-(3-cyanocarbazol-9-yl)-4-(3-triphenylsilylphenyl)benzene-1,2-dicarbonitrile
CID 153318472
9-[3-[3-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081730
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145055650
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542

Frequently Asked Questions

What is the IUPAC name of 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile (CID 167401465) is 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2ccccc2)c1-c1ccccc1C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile?
The InChIKey is WJILQOFFYXYKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c46-27-29-22-25-42-40(26-29)35-16-10-11-21-41(35)48(42)45-31(28-47)23-24-32(30-12-2-1-3-13-30)44(45)39-20-9-8-19-38(39)43-36-17-6-4-14-33(36)34-15-5-7-18-37(34)43/h1-26,43H.
What are the key properties of 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile?
9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile has a molecular weight of 609.73 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-cyano-2-[2-(9H-fluoren-9-yl)phenyl]-3-phenylphenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 167401465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).