12-methyl-1,11-diphenylindolo[2,3-a]carbazole

C31H22N2 — CID 176615335

IUPAC12-methyl-1,11-diphenylindolo[2,3-a]carbazole
SMILESCn1c2c(-c3ccccc3)cccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C31H22N2/c1-32-29-23(21-11-4-2-5-12-21)16-10-17-25(29)27-20-19-26-24-15-8-9-18-28(24)33(31(26)30(27)32)22-13-6-3-7-14-22/h2-20H,1H3
InChIKeyCOBLYGRBSRNBFI-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.10
Rot. Bonds2

About 12-methyl-1,11-diphenylindolo[2,3-a]carbazole

12-methyl-1,11-diphenylindolo[2,3-a]carbazole (PubChem CID 176615335) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 12-methyl-1,11-diphenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-methyl-1,11-diphenylindolo[2,3-a]carbazole
PubChem CID176615335
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name12-methyl-1,11-diphenylindolo[2,3-a]carbazole
SMILESCn1c2c(-c3ccccc3)cccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C31H22N2/c1-32-29-23(21-11-4-2-5-12-21)16-10-17-25(29)27-20-19-26-24-15-8-9-18-28(24)33(31(26)30(27)32)22-13-6-3-7-14-22/h2-20H,1H3
InChIKeyCOBLYGRBSRNBFI-UHFFFAOYSA-N
XLogP8.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 146397378
2,9-diphenyl-1-(9-phenylcarbazol-1-yl)carbazole
CID 90348691
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
7-phenyl-5-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-b]carbazole
CID 134252986
1-(3-methyl-4-phenylphenyl)-9-phenylcarbazole
CID 146397471
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
1-(3,5-dimethylphenyl)-9-phenylcarbazole
CID 169054866

Frequently Asked Questions

What is the IUPAC name of 12-methyl-1,11-diphenylindolo[2,3-a]carbazole?
The IUPAC name of 12-methyl-1,11-diphenylindolo[2,3-a]carbazole (CID 176615335) is 12-methyl-1,11-diphenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-methyl-1,11-diphenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-methyl-1,11-diphenylindolo[2,3-a]carbazole is Cn1c2c(-c3ccccc3)cccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 12-methyl-1,11-diphenylindolo[2,3-a]carbazole?
The InChIKey is COBLYGRBSRNBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-32-29-23(21-11-4-2-5-12-21)16-10-17-25(29)27-20-19-26-24-15-8-9-18-28(24)33(31(26)30(27)32)22-13-6-3-7-14-22/h2-20H,1H3.
What are the key properties of 12-methyl-1,11-diphenylindolo[2,3-a]carbazole?
12-methyl-1,11-diphenylindolo[2,3-a]carbazole has a molecular weight of 422.53 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyl-1,11-diphenylindolo[2,3-a]carbazole is sourced from PubChem (CID 176615335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).