2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline

C32H31N — CID 170539352

IUPAC2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
SMILESCc1cc(C)c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)c4ccccc4c3)nc2c1
InChIInChI=1S/C32H31N/c1-20-15-21(2)31-22(3)17-29(33-30(31)16-20)25-18-24-9-7-8-10-27(24)28(19-25)23-11-13-26(14-12-23)32(4,5)6/h7-19H,1-6H3
InChIKeyTVOCFJAMYBCMAG-UHFFFAOYSA-N
MW429.61 g/mol
LogP8.94
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline

2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline (PubChem CID 170539352) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
PubChem CID170539352
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC Name2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline
SMILESCc1cc(C)c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)c4ccccc4c3)nc2c1
InChIInChI=1S/C32H31N/c1-20-15-21(2)31-22(3)17-29(33-30(31)16-20)25-18-24-9-7-8-10-27(24)28(19-25)23-11-13-26(14-12-23)32(4,5)6/h7-19H,1-6H3
InChIKeyTVOCFJAMYBCMAG-UHFFFAOYSA-N
XLogP8.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
4-(4-tert-butylphenyl)-5-methyl-2-(3-phenanthren-9-ylphenyl)pyridine
CID 172506461
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
1,6-bis(4-tert-butylphenyl)-3,8-bis(4-naphthalen-1-ylphenyl)pyrene
CID 59391221
1-(4-tert-butylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;1-(4-methylphenyl)-3,6,8-tri(phenanthren-9-yl)pyrene;trimethyl-[4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]phenyl]silane
CID 161427818
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
CID 164939626
7-tert-butyl-1-methyl-3-(6-phenanthren-2-ylnaphthalen-2-yl)pyrene
CID 59629648
4-(4-tert-butylphenyl)-2-(4-methylphenyl)-9H-pyrido[2,3-b]indole
CID 56931635
2-[2-(4-tert-butylnaphthalen-2-yl)quinolin-4-yl]-4-methyl-1,3-thiazole
CID 156665321
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
1-(4-tert-butylphenyl)-4-[4-[4-[6-(4-tert-butylphenyl)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline?
The IUPAC name of 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline (CID 170539352) is 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline is Cc1cc(C)c2c(C)cc(-c3cc(-c4ccc(C(C)(C)C)cc4)c4ccccc4c3)nc2c1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline?
The InChIKey is TVOCFJAMYBCMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N/c1-20-15-21(2)31-22(3)17-29(33-30(31)16-20)25-18-24-9-7-8-10-27(24)28(19-25)23-11-13-26(14-12-23)32(4,5)6/h7-19H,1-6H3.
What are the key properties of 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline?
2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline has a molecular weight of 429.61 g/mol, XLogP of 8.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)naphthalen-2-yl]-4,5,7-trimethylquinoline is sourced from PubChem (CID 170539352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).