2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline

C41H29N — CID 164939626

IUPAC2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n2)c1
InChIInChI=1S/C41H29N/c1-26-21-27(2)23-29(22-26)41-25-38(37-17-9-10-18-40(37)42-41)28-19-20-36-34-15-6-5-13-32(34)30-11-3-4-12-31(30)33-14-7-8-16-35(33)39(36)24-28/h3-25H,1-2H3/b32-30-,33-31-,36-34-,39-35-
InChIKeyBVESEHKVDHNJPI-KJFFAWBHSA-N
MW535.69 g/mol
LogP11.17
Rot. Bonds2

About 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline

2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline (PubChem CID 164939626) has the molecular formula C41H29N and a molecular weight of 535.69 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
PubChem CID164939626
Molecular FormulaC41H29N
Molecular Weight535.69 g/mol
Exact Mass535.23
IUPAC Name2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline
SMILESCc1cc(C)cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n2)c1
InChIInChI=1S/C41H29N/c1-26-21-27(2)23-29(22-26)41-25-38(37-17-9-10-18-40(37)42-41)28-19-20-36-34-15-6-5-13-32(34)30-11-3-4-12-31(30)33-14-7-8-16-35(33)39(36)24-28/h3-25H,1-2H3/b32-30-,33-31-,36-34-,39-35-
InChIKeyBVESEHKVDHNJPI-KJFFAWBHSA-N
XLogP11.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
[2-(3,5-dimethylphenyl)-4-phenylquinolin-6-yl]-trimethylgermane
CID 156675510
6-(3,5-dimethylphenyl)phenanthridine
CID 122398560
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2-(3-tert-butyl-5-methylphenyl)-4-(2,2-dimethylpropyl)quinoline
CID 167260846
2-(3,5-difluorophenyl)-4-phenylquinoline
CID 155627719
7-methyl-2,4-diphenylquinoline
CID 13048584
4-(1-bicyclo[2.2.2]octanyl)-2-(3,5-dimethylphenyl)quinoline
CID 156655138

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline (CID 164939626) is 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline is Cc1cc(C)cc(-c2cc(-c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)c3ccccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline?
The InChIKey is BVESEHKVDHNJPI-KJFFAWBHSA-N. The full InChI is InChI=1S/C41H29N/c1-26-21-27(2)23-29(22-26)41-25-38(37-17-9-10-18-40(37)42-41)28-19-20-36-34-15-6-5-13-32(34)30-11-3-4-12-31(30)33-14-7-8-16-35(33)39(36)24-28/h3-25H,1-2H3/b32-30-,33-31-,36-34-,39-35-.
What are the key properties of 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline?
2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline has a molecular weight of 535.69 g/mol, XLogP of 11.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4-tetraphenylen-2-ylquinoline is sourced from PubChem (CID 164939626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).