7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole

C35H31N — CID 139418350

IUPAC7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)C2=C4C=CCC2)ccc1C
InChIInChI=1S/C35H31N/c1-22-11-5-6-12-25(22)28-19-24(18-17-23(28)2)36-33-16-10-8-14-27(33)30-20-29-26-13-7-9-15-31(26)35(3,4)32(29)21-34(30)36/h5-8,10-14,16-21H,9,15H2,1-4H3
InChIKeyYYUHCGCWEJRVCQ-UHFFFAOYSA-N
MW465.64 g/mol
LogP9.46
Rot. Bonds2

About 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole

7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole (PubChem CID 139418350) has the molecular formula C35H31N and a molecular weight of 465.64 g/mol. Its IUPAC name is 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
PubChem CID139418350
Molecular FormulaC35H31N
Molecular Weight465.64 g/mol
Exact Mass465.25
IUPAC Name7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole
SMILESCc1ccccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)C2=C4C=CCC2)ccc1C
InChIInChI=1S/C35H31N/c1-22-11-5-6-12-25(22)28-19-24(18-17-23(28)2)36-33-16-10-8-14-27(33)30-20-29-26-13-7-9-15-31(26)35(3,4)32(29)21-34(30)36/h5-8,10-14,16-21H,9,15H2,1-4H3
InChIKeyYYUHCGCWEJRVCQ-UHFFFAOYSA-N
XLogP9.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.64
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
5-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-8,9-dihydroindeno[2,1-b]carbazole
CID 166914013
7,7-dimethyl-2-[2-methyl-3-[2-methyl-3-[4-methyl-3-(2,9,9-trimethylfluoren-3-yl)phenyl]phenyl]phenyl]-5-phenyl-8,9-dihydroindeno[2,1-b]carbazole
CID 144556739
9-[4-methyl-3-(2-methylphenyl)phenyl]-1,2-dihydrocarbazole
CID 129215312
7,7,9-trimethyl-5-(9,9'-spirobi[fluorene]-3-yl)-8,9-dihydroindeno[2,1-b]carbazole
CID 155005585
32-(4-dibenzofuran-4-ylphenyl)-28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22(27),23,30-tetradecaene
CID 146420759
3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
9-(5,6-dihydrotriphenylen-2-yl)-3-[4-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 166969507
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
5'-(3,5-diphenylphenyl)spiro[1,2,7,8-tetrahydrofluorene-9,11'-9,10-dihydroindeno[1,2-b]carbazole]
CID 131969730

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole (CID 139418350) is 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole is Cc1ccccc1-c1cc(-n2c3ccccc3c3cc4c(cc32)C(C)(C)C2=C4C=CCC2)ccc1C.
What is the InChIKey of 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole?
The InChIKey is YYUHCGCWEJRVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N/c1-22-11-5-6-12-25(22)28-19-24(18-17-23(28)2)36-33-16-10-8-14-27(33)30-20-29-26-13-7-9-15-31(26)35(3,4)32(29)21-34(30)36/h5-8,10-14,16-21H,9,15H2,1-4H3.
What are the key properties of 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole?
7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole has a molecular weight of 465.64 g/mol, XLogP of 9.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[4-methyl-3-(2-methylphenyl)phenyl]-8,9-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 139418350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).