1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

C38H30N2 — CID 135191733

IUPAC1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c2c1C
InChIInChI=1S/C38H30N2/c1-25-12-6-7-15-29(25)30-21-22-33-31-16-8-11-19-36(31)40(38(33)26(30)2)28-20-23-37-34(24-28)32-17-9-10-18-35(32)39(37)27-13-4-3-5-14-27/h3-24,32,35H,1-2H3
InChIKeyLKGBAFZUCAWJHM-UHFFFAOYSA-N
MW514.67 g/mol
LogP9.80
Rot. Bonds3

About 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole

1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (PubChem CID 135191733) has the molecular formula C38H30N2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
PubChem CID135191733
Molecular FormulaC38H30N2
Molecular Weight514.67 g/mol
Exact Mass514.24
IUPAC Name1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
SMILESCc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c2c1C
InChIInChI=1S/C38H30N2/c1-25-12-6-7-15-29(25)30-21-22-33-31-16-8-11-19-36(31)40(38(33)26(30)2)28-20-23-37-34(24-28)32-17-9-10-18-35(32)39(37)27-13-4-3-5-14-27/h3-24,32,35H,1-2H3
InChIKeyLKGBAFZUCAWJHM-UHFFFAOYSA-N
XLogP9.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
7-phenyl-5-[3-(5-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[2,3-b]carbazole
CID 170208199
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
3-[9-(3-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 145339560
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
5,11-bis(3-carbazol-9-ylphenyl)-4a,12b-dihydroindolo[3,2-b]carbazole
CID 170205828
1-N-phenyl-4-N-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 89059839
3-N-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-1-N-(4-carbazol-9-ylphenyl)-2,4,6-trimethyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 87664499

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole (CID 135191733) is 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is Cc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)C3C=CC=CC3N4c3ccccc3)c2c1C.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
The InChIKey is LKGBAFZUCAWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N2/c1-25-12-6-7-15-29(25)30-21-22-33-31-16-8-11-19-36(31)40(38(33)26(30)2)28-20-23-37-34(24-28)32-17-9-10-18-35(32)39(37)27-13-4-3-5-14-27/h3-24,32,35H,1-2H3.
What are the key properties of 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole?
1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole has a molecular weight of 514.67 g/mol, XLogP of 9.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylphenyl)-9-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 135191733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).