11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline

C34H26N2 — CID 167354461

IUPAC11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline
SMILESCc1cc(C)c2c(C)c(-c3nc4ccccc4c4c3c3ccccc3n4-c3ccccc3)ccc2c1
InChIInChI=1S/C34H26N2/c1-21-19-22(2)31-23(3)26(18-17-24(31)20-21)33-32-28-14-8-10-16-30(28)36(25-11-5-4-6-12-25)34(32)27-13-7-9-15-29(27)35-33/h4-20H,1-3H3
InChIKeyKAELKEMEQQVCAV-UHFFFAOYSA-N
MW462.60 g/mol
LogP9.08
Rot. Bonds2

About 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline

11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline (PubChem CID 167354461) has the molecular formula C34H26N2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline.

Molecular Properties

Compound Name11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline
PubChem CID167354461
Molecular FormulaC34H26N2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline
SMILESCc1cc(C)c2c(C)c(-c3nc4ccccc4c4c3c3ccccc3n4-c3ccccc3)ccc2c1
InChIInChI=1S/C34H26N2/c1-21-19-22(2)31-23(3)26(18-17-24(31)20-21)33-32-28-14-8-10-16-30(28)36(25-11-5-4-6-12-25)34(32)27-13-7-9-15-29(27)35-33/h4-20H,1-3H3
InChIKeyKAELKEMEQQVCAV-UHFFFAOYSA-N
XLogP9.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline?
The IUPAC name of 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline (CID 167354461) is 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline.
What is the SMILES notation for 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline?
The canonical SMILES for 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline is Cc1cc(C)c2c(C)c(-c3nc4ccccc4c4c3c3ccccc3n4-c3ccccc3)ccc2c1.
What is the InChIKey of 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline?
The InChIKey is KAELKEMEQQVCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-21-19-22(2)31-23(3)26(18-17-24(31)20-21)33-32-28-14-8-10-16-30(28)36(25-11-5-4-6-12-25)34(32)27-13-7-9-15-29(27)35-33/h4-20H,1-3H3.
What are the key properties of 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline?
11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline has a molecular weight of 462.60 g/mol, XLogP of 9.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-6-(1,6,8-trimethylnaphthalen-2-yl)indolo[3,2-c]quinoline is sourced from PubChem (CID 167354461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).