12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole

C41H31N3 — CID 90324685

IUPAC12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
SMILESCn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)cc21
InChIInChI=1S/C41H31N3/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26/h4-25H,1-3H3
InChIKeyYOKGZOVSPSIWHR-UHFFFAOYSA-N
MW565.72 g/mol
LogP10.31
Rot. Bonds3

About 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole

12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole (PubChem CID 90324685) has the molecular formula C41H31N3 and a molecular weight of 565.72 g/mol. Its IUPAC name is 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
PubChem CID90324685
Molecular FormulaC41H31N3
Molecular Weight565.72 g/mol
Exact Mass565.25
IUPAC Name12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
SMILESCn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)cc21
InChIInChI=1S/C41H31N3/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26/h4-25H,1-3H3
InChIKeyYOKGZOVSPSIWHR-UHFFFAOYSA-N
XLogP10.31
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699
11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[2,4-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[4,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 160929846
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126630778
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-phenyl-12-[4-(1-phenylbenzimidazol-2-yl)phenyl]indolo[2,3-a]carbazole
CID 160948499
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?
The IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole (CID 90324685) is 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole is Cn1c(-c2ccccc2)nc2ccc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)cc21.
What is the InChIKey of 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?
The InChIKey is YOKGZOVSPSIWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26/h4-25H,1-3H3.
What are the key properties of 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole?
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole has a molecular weight of 565.72 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole is sourced from PubChem (CID 90324685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).