5-methyl-2,11-diphenylindolo[3,2-b]carbazole

C31H22N2 — CID 176615470

IUPAC5-methyl-2,11-diphenylindolo[3,2-b]carbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C31H22N2/c1-32-28-17-16-22(21-10-4-2-5-11-21)18-25(28)27-20-31-26(19-30(27)32)24-14-8-9-15-29(24)33(31)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyOVKPEMREUWPQCJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.10
Rot. Bonds2

About 5-methyl-2,11-diphenylindolo[3,2-b]carbazole

5-methyl-2,11-diphenylindolo[3,2-b]carbazole (PubChem CID 176615470) has the molecular formula C31H22N2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-methyl-2,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-methyl-2,11-diphenylindolo[3,2-b]carbazole
PubChem CID176615470
Molecular FormulaC31H22N2
Molecular Weight422.53 g/mol
Exact Mass422.18
IUPAC Name5-methyl-2,11-diphenylindolo[3,2-b]carbazole
SMILESCn1c2ccc(-c3ccccc3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C31H22N2/c1-32-28-17-16-22(21-10-4-2-5-11-21)18-25(28)27-20-31-26(19-30(27)32)24-14-8-9-15-29(24)33(31)23-12-6-3-7-13-23/h2-20H,1H3
InChIKeyOVKPEMREUWPQCJ-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

5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 153276106
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
9-methylcarbazole;3-methyl-6,9-diphenylcarbazole;9-methyl-3,6-diphenylcarbazole;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole;3,6,9-trimethylcarbazole
CID 159340323
11-(3,5-diphenylphenyl)-5-methylindolo[3,2-b]carbazole;5-methyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-methyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 159913931
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 5-methyl-2,11-diphenylindolo[3,2-b]carbazole (CID 176615470) is 5-methyl-2,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-methyl-2,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 5-methyl-2,11-diphenylindolo[3,2-b]carbazole is Cn1c2ccc(-c3ccccc3)cc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 5-methyl-2,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is OVKPEMREUWPQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2/c1-32-28-17-16-22(21-10-4-2-5-11-21)18-25(28)27-20-31-26(19-30(27)32)24-14-8-9-15-29(24)33(31)23-12-6-3-7-13-23/h2-20H,1H3.
What are the key properties of 5-methyl-2,11-diphenylindolo[3,2-b]carbazole?
5-methyl-2,11-diphenylindolo[3,2-b]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 5-methyl-2,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 176615470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).