2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile

C45H27N3 — CID 147535638

IUPAC2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1c(-n2c3ccccc3c3ccccc32)ccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C45H27N3/c46-28-30-14-13-15-31(29-47)42(30)43-41(48-39-24-11-8-21-35(39)36-22-9-12-25-40(36)48)27-26-37-34-20-7-10-23-38(34)45(44(37)43,32-16-3-1-4-17-32)33-18-5-2-6-19-33/h1-27H
InChIKeyFNXGUDSWUAPDJW-UHFFFAOYSA-N
MW609.73 g/mol
LogP10.56
Rot. Bonds4

About 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile

2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 147535638) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
PubChem CID147535638
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1c(-n2c3ccccc3c3ccccc32)ccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C45H27N3/c46-28-30-14-13-15-31(29-47)42(30)43-41(48-39-24-11-8-21-35(39)36-22-9-12-25-40(36)48)27-26-37-34-20-7-10-23-38(34)45(44(37)43,32-16-3-1-4-17-32)33-18-5-2-6-19-33/h1-27H
InChIKeyFNXGUDSWUAPDJW-UHFFFAOYSA-N
XLogP10.56
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 ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572382
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
2,5-bis(12,12-diphenylindeno[1,2-c]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 166572256
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
2-[2,3-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303673
3,4-di(carbazol-9-yl)-2,5-bis(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-6-isocyanobenzonitrile
CID 156680254
3-[9-(9,9-diphenylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118449506
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
3-carbazol-9-yl-2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155080460

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile (CID 147535638) is 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1c(-n2c3ccccc3c3ccccc32)ccc2c1C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is FNXGUDSWUAPDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c46-28-30-14-13-15-31(29-47)42(30)43-41(48-39-24-11-8-21-35(39)36-22-9-12-25-40(36)48)27-26-37-34-20-7-10-23-38(34)45(44(37)43,32-16-3-1-4-17-32)33-18-5-2-6-19-33/h1-27H.
What are the key properties of 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile?
2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 609.73 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-yl-9,9-diphenylfluoren-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 147535638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).