3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile

C47H32N2 — CID 164730464

IUPAC3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(c1c(C#N)cccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1-3
InChIInChI=1S/C47H32N2/c1-47(2)40-22-8-5-17-34(40)39-26-25-38-33-16-3-4-20-37(33)44(45(38)46(39)47)43-30(28-48)14-12-21-32(43)29-13-11-15-31(27-29)49-41-23-9-6-18-35(41)36-19-7-10-24-42(36)49/h3-27,44H,1-2H3
InChIKeyIWPWBPQEEJFKQK-UHFFFAOYSA-N
MW624.79 g/mol
LogP11.79
Rot. Bonds3

About 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile

3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile (PubChem CID 164730464) has the molecular formula C47H32N2 and a molecular weight of 624.79 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile
PubChem CID164730464
Molecular FormulaC47H32N2
Molecular Weight624.79 g/mol
Exact Mass624.26
IUPAC Name3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)C(c1c(C#N)cccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1-3
InChIInChI=1S/C47H32N2/c1-47(2)40-22-8-5-17-34(40)39-26-25-38-33-16-3-4-20-37(33)44(45(38)46(39)47)43-30(28-48)14-12-21-32(43)29-13-11-15-31(27-29)49-41-23-9-6-18-35(41)36-19-7-10-24-42(36)49/h3-27,44H,1-2H3
InChIKeyIWPWBPQEEJFKQK-UHFFFAOYSA-N
XLogP11.79
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.79
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile with MolForge

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Related Compounds

2-[4-(3-carbazol-9-ylphenyl)-3-(2-cyanophenyl)phenyl]benzonitrile
CID 122430955
2-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-4-carbonitrile
CID 146543164
3-(3-carbazol-9-yl-5-cyanophenyl)-5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile
CID 129290978
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 66805252
5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyridine-2-carbonitrile
CID 146543402
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
5-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzonitrile
CID 155079678
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
9-(3-phenylphenyl)-3-[12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[12H-indeno[2,1-a]fluorene-11,9'-fluorene]-3-yl]carbazole
CID 118613453
5-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 158364365
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile (CID 164730464) is 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)C(c1c(C#N)cccc1-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1-3.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile?
The InChIKey is IWPWBPQEEJFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N2/c1-47(2)40-22-8-5-17-34(40)39-26-25-38-33-16-3-4-20-37(33)44(45(38)46(39)47)43-30(28-48)14-12-21-32(43)29-13-11-15-31(27-29)49-41-23-9-6-18-35(41)36-19-7-10-24-42(36)49/h3-27,44H,1-2H3.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile?
3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile has a molecular weight of 624.79 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylphenyl)-2-(12,12-dimethyl-11H-indeno[2,3-a]fluoren-11-yl)benzonitrile is sourced from PubChem (CID 164730464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).