6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline

C32H29N — CID 167354477

IUPAC6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
SMILESCC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2C3(C)C)cc2ccccc12
InChIInChI=1S/C32H29N/c1-31(2,3)26-19-21(18-20-12-6-7-13-22(20)26)30-28-23-14-8-10-16-25(23)32(4,5)29(28)24-15-9-11-17-27(24)33-30/h6-19H,1-5H3
InChIKeyDLXLMKQYOWWHKD-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.66
Rot. Bonds1

About 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline

6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline (PubChem CID 167354477) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
PubChem CID167354477
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline
SMILESCC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2C3(C)C)cc2ccccc12
InChIInChI=1S/C32H29N/c1-31(2,3)26-19-21(18-20-12-6-7-13-22(20)26)30-28-23-14-8-10-16-25(23)32(4,5)29(28)24-15-9-11-17-27(24)33-30/h6-19H,1-5H3
InChIKeyDLXLMKQYOWWHKD-UHFFFAOYSA-N
XLogP8.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
CID 167354672
11,11-dimethyl-10-(4-phenanthren-9-ylphenyl)indeno[1,2-b]quinoline
CID 139567371
2-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 165151926
2-(11,11-dimethylbenzo[a]fluoren-6-yl)-4,6-diphenylpyrimidine
CID 165151962
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2,6-diphenylpyridine
CID 165152145
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567232
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
2-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 165152040
4-(11,11-dimethylbenzo[a]fluoren-6-yl)-2-(3,5-diphenylphenyl)-6-phenylpyridine
CID 165152041
4-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyridine
CID 165152303
6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
10-[4-[3,5-di(quinolin-6-yl)phenyl]phenyl]-11,11-dimethylindeno[1,2-b]quinoline
CID 139567372

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline (CID 167354477) is 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline is CC(C)(C)c1cc(-c2nc3ccccc3c3c2-c2ccccc2C3(C)C)cc2ccccc12.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline?
The InChIKey is DLXLMKQYOWWHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-31(2,3)26-19-21(18-20-12-6-7-13-22(20)26)30-28-23-14-8-10-16-25(23)32(4,5)29(28)24-15-9-11-17-27(24)33-30/h6-19H,1-5H3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline?
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline has a molecular weight of 427.59 g/mol, XLogP of 8.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethylindeno[1,2-c]quinoline is sourced from PubChem (CID 167354477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).