7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole

C41H33N3 — CID 144549175

IUPAC7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole
SMILESCN1c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1
InChIInChI=1S/C41H33N3/c1-41(2)34-18-9-7-16-30(34)32-24-33-31-17-8-10-19-37(31)44(38(33)25-35(32)41)29-15-11-14-27(22-29)28-20-21-36-39(23-28)43(3)40(42-36)26-12-5-4-6-13-26/h4-25,40,42H,1-3H3
InChIKeyFFQDDXKRWUCMBG-UHFFFAOYSA-N
MW567.74 g/mol
LogP10.32
Rot. Bonds3

About 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole

7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole (PubChem CID 144549175) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole
PubChem CID144549175
Molecular FormulaC41H33N3
Molecular Weight567.74 g/mol
Exact Mass567.27
IUPAC Name7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole
SMILESCN1c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1
InChIInChI=1S/C41H33N3/c1-41(2)34-18-9-7-16-30(34)32-24-33-31-17-8-10-19-37(31)44(38(33)25-35(32)41)29-15-11-14-27(22-29)28-20-21-36-39(23-28)43(3)40(42-36)26-12-5-4-6-13-26/h4-25,40,42H,1-3H3
InChIKeyFFQDDXKRWUCMBG-UHFFFAOYSA-N
XLogP10.32
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 510.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole with MolForge

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Related Compounds

12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 144548979
12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene
CID 144548978
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)-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 121287104
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-[3-(9,9-dimethyl-5-phenylfluoren-4-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 138714663
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 160662276
5-[3-(9-benzyl-9H-fluoren-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 123174103
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
5-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole?
The IUPAC name of 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole (CID 144549175) is 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole.
What is the SMILES notation for 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole?
The canonical SMILES for 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole is CN1c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1.
What is the InChIKey of 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole?
The InChIKey is FFQDDXKRWUCMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3/c1-41(2)34-18-9-7-16-30(34)32-24-33-31-17-8-10-19-37(31)44(38(33)25-35(32)41)29-15-11-14-27(22-29)28-20-21-36-39(23-28)43(3)40(42-36)26-12-5-4-6-13-26/h4-25,40,42H,1-3H3.
What are the key properties of 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole?
7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole has a molecular weight of 567.74 g/mol, XLogP of 10.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole is sourced from PubChem (CID 144549175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).