6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile

C29H22N2 — CID 118331718

IUPAC6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile
SMILESCn1c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2cccc(C#N)c21
InChIInChI=1S/C29H22N2/c1-29(2)25-10-5-4-8-21(25)22-13-11-19(16-26(22)29)18-12-14-27-24(15-18)23-9-6-7-20(17-30)28(23)31(27)3/h4-16H,1-3H3
InChIKeyZDUDQCJQWSKTTM-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.18
Rot. Bonds1

About 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile

6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile (PubChem CID 118331718) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile
PubChem CID118331718
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile
SMILESCn1c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2cccc(C#N)c21
InChIInChI=1S/C29H22N2/c1-29(2)25-10-5-4-8-21(25)22-13-11-19(16-26(22)29)18-12-14-27-24(15-18)23-9-6-7-20(17-30)28(23)31(27)3/h4-16H,1-3H3
InChIKeyZDUDQCJQWSKTTM-UHFFFAOYSA-N
XLogP7.18
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
CID 118330101
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
3-[10-[4-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]benzonitrile
CID 89026938
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357432
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile (CID 118331718) is 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile is Cn1c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2c2cccc(C#N)c21.
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile?
The InChIKey is ZDUDQCJQWSKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-29(2)25-10-5-4-8-21(25)22-13-11-19(16-26(22)29)18-12-14-27-24(15-18)23-9-6-7-20(17-30)28(23)31(27)3/h4-16H,1-3H3.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile?
6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile has a molecular weight of 398.51 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile is sourced from PubChem (CID 118331718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).