5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole

C34H27N3 — CID 134194410

IUPAC5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2ccc(Cc3ccc4c5ccc6c(c7ccccc7n6C)c5n(C)c4c3)cc21
InChIInChI=1S/C34H27N3/c1-35-29-11-7-5-9-27(29)33-30(35)17-16-26-25-15-13-22(20-32(25)37(3)34(26)33)18-21-12-14-24-23-8-4-6-10-28(23)36(2)31(24)19-21/h4-17,19-20H,18H2,1-3H3
InChIKeyCXYPSVJOMKTGSU-UHFFFAOYSA-N
MW477.61 g/mol
LogP8.21
Rot. Bonds2

About 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole

5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole (PubChem CID 134194410) has the molecular formula C34H27N3 and a molecular weight of 477.61 g/mol. Its IUPAC name is 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
PubChem CID134194410
Molecular FormulaC34H27N3
Molecular Weight477.61 g/mol
Exact Mass477.22
IUPAC Name5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole
SMILESCn1c2ccccc2c2ccc(Cc3ccc4c5ccc6c(c7ccccc7n6C)c5n(C)c4c3)cc21
InChIInChI=1S/C34H27N3/c1-35-29-11-7-5-9-27(29)33-30(35)17-16-26-25-15-13-22(20-32(25)37(3)34(26)33)18-21-12-14-24-23-8-4-6-10-28(23)36(2)31(24)19-21/h4-17,19-20H,18H2,1-3H3
InChIKeyCXYPSVJOMKTGSU-UHFFFAOYSA-N
XLogP8.21
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole?
The IUPAC name of 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole (CID 134194410) is 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole is Cn1c2ccccc2c2ccc(Cc3ccc4c5ccc6c(c7ccccc7n6C)c5n(C)c4c3)cc21.
What is the InChIKey of 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole?
The InChIKey is CXYPSVJOMKTGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27N3/c1-35-29-11-7-5-9-27(29)33-30(35)17-16-26-25-15-13-22(20-32(25)37(3)34(26)33)18-21-12-14-24-23-8-4-6-10-28(23)36(2)31(24)19-21/h4-17,19-20H,18H2,1-3H3.
What are the key properties of 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole?
5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole has a molecular weight of 477.61 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dimethyl-10-[(9-methylcarbazol-2-yl)methyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 134194410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).