10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole

C36H29N — CID 86685020

IUPAC10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=C3C=CC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)C=C32)C=C2N=c3ccccc3=C21
InChIInChI=1S/C36H29N/c1-35(2)29-11-7-5-9-25(29)26-16-15-22(19-30(26)35)21-13-14-23-17-24-20-32-34(27-10-6-8-12-31(27)37-32)36(3,4)33(24)28(23)18-21/h5-21H,1-4H3
InChIKeyIXYUVBZELKFINF-UHFFFAOYSA-N
MW475.64 g/mol
LogP7.22
Rot. Bonds1

About 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole

10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole (PubChem CID 86685020) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole.

Molecular Properties

Compound Name10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole
PubChem CID86685020
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC Name10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole
SMILESCC1(C)C2=C(C=C3C=CC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)C=C32)C=C2N=c3ccccc3=C21
InChIInChI=1S/C36H29N/c1-35(2)29-11-7-5-9-25(29)26-16-15-22(19-30(26)35)21-13-14-23-17-24-20-32-34(27-10-6-8-12-31(27)37-32)36(3,4)33(24)28(23)18-21/h5-21H,1-4H3
InChIKeyIXYUVBZELKFINF-UHFFFAOYSA-N
XLogP7.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The IUPAC name of 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole (CID 86685020) is 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole.
What is the SMILES notation for 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The canonical SMILES for 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole is CC1(C)C2=C(C=C3C=CC(c4ccc5c(c4)C(C)(C)c4ccccc4-5)C=C32)C=C2N=c3ccccc3=C21.
What is the InChIKey of 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole?
The InChIKey is IXYUVBZELKFINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N/c1-35(2)29-11-7-5-9-25(29)26-16-15-22(19-30(26)35)21-13-14-23-17-24-20-32-34(27-10-6-8-12-31(27)37-32)36(3,4)33(24)28(23)18-21/h5-21H,1-4H3.
What are the key properties of 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole?
10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole has a molecular weight of 475.64 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-10H-indeno[2,1-b]carbazole is sourced from PubChem (CID 86685020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).