4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline

C45H29N — CID 126579083

IUPAC4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C45H29N/c1-2-12-30(13-3-1)42-29-45(46-44-23-9-8-22-41(42)44)35-17-11-16-33(27-35)31-14-10-15-32(26-31)34-24-25-40-38-20-5-4-18-36(38)37-19-6-7-21-39(37)43(40)28-34/h1-29H
InChIKeyFIRWPBOYSDZTOP-UHFFFAOYSA-N
MW583.73 g/mol
LogP12.36
Rot. Bonds4

About 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline

4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline (PubChem CID 126579083) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline.

Molecular Properties

Compound Name4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
PubChem CID126579083
Molecular FormulaC45H29N
Molecular Weight583.73 g/mol
Exact Mass583.23
IUPAC Name4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)nc3ccccc23)cc1
InChIInChI=1S/C45H29N/c1-2-12-30(13-3-1)42-29-45(46-44-23-9-8-22-41(42)44)35-17-11-16-33(27-35)31-14-10-15-32(26-31)34-24-25-40-38-20-5-4-18-36(38)37-19-6-7-21-39(37)43(40)28-34/h1-29H
InChIKeyFIRWPBOYSDZTOP-UHFFFAOYSA-N
XLogP12.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.73
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4,6-bis(3-phenylphenyl)-2-(3-triphenylen-2-ylphenyl)pyrimidine
CID 137389671
N-[(1Z,3E)-3-[4-[2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinolin-4-yl]phenyl]penta-1,3-dienyl]methanimine
CID 126588239
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-[6,12-bis(3-phenylphenyl)chrysen-2-yl]-6,12-diphenylchrysene
CID 58501319
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-[3-[3-(3-phenylphenyl)phenyl]-5-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 167425257
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
2,4-diphenyl-6-triphenylen-2-ylpyridine
CID 118490712
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
4-(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine
CID 137389670

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline?
The IUPAC name of 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline (CID 126579083) is 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline.
What is the SMILES notation for 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline?
The canonical SMILES for 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)nc3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline?
The InChIKey is FIRWPBOYSDZTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/c1-2-12-30(13-3-1)42-29-45(46-44-23-9-8-22-41(42)44)35-17-11-16-33(27-35)31-14-10-15-32(26-31)34-24-25-40-38-20-5-4-18-36(38)37-19-6-7-21-39(37)43(40)28-34/h1-29H.
What are the key properties of 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline?
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline has a molecular weight of 583.73 g/mol, XLogP of 12.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline is sourced from PubChem (CID 126579083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).