2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile

C35H23N3 — CID 155357432

IUPAC2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cccc(-c5c(C#N)cccc5C#N)c43)cc21
InChIInChI=1S/C35H23N3/c1-35(2)30-15-5-3-11-25(30)26-18-17-24(19-31(26)35)38-32-16-6-4-12-27(32)28-13-8-14-29(34(28)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3
InChIKeyRZPQVTHIWRPJGS-UHFFFAOYSA-N
MW485.59 g/mol
LogP8.50
Rot. Bonds2

About 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile

2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357432) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
PubChem CID155357432
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cccc(-c5c(C#N)cccc5C#N)c43)cc21
InChIInChI=1S/C35H23N3/c1-35(2)30-15-5-3-11-25(30)26-18-17-24(19-31(26)35)38-32-16-6-4-12-27(32)28-13-8-14-29(34(28)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3
InChIKeyRZPQVTHIWRPJGS-UHFFFAOYSA-N
XLogP8.50
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[9-(9,9-dimethylfluoren-3-yl)carbazol-4-yl]benzene-1,3-dicarbonitrile
CID 155357389
11'-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 123926035
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
11-(9,9-dimethylfluoren-2-yl)-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385363
11-(9,9-dimethylfluoren-2-yl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole
CID 121385351
2-[9-(3-carbazol-9-ylphenyl)-8-(2,6-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155357604
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
2-carbazol-9-yl-9-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole
CID 121274445
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995

Frequently Asked Questions

What is the IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile (CID 155357432) is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cccc(-c5c(C#N)cccc5C#N)c43)cc21.
What is the InChIKey of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
The InChIKey is RZPQVTHIWRPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-35(2)30-15-5-3-11-25(30)26-18-17-24(19-31(26)35)38-32-16-6-4-12-27(32)28-13-8-14-29(34(28)38)33-22(20-36)9-7-10-23(33)21-37/h3-19H,1-2H3.
What are the key properties of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile?
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile has a molecular weight of 485.59 g/mol, XLogP of 8.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).