2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline

C58H48N2 — CID 177454464

IUPAC2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4c(-c4c5ccccc5cc5c(-c6ccccc6)cc(-c6ccc(C(C)(C)C)cc6)nc45)c3n2)cc1
InChIInChI=1S/C58H48N2/c1-57(2,3)43-29-25-39(26-30-43)51-35-47(37-17-9-7-10-18-37)49-33-41-21-13-15-23-45(41)53(55(49)59-51)54-46-24-16-14-22-42(46)34-50-48(38-19-11-8-12-20-38)36-52(60-56(50)54)40-27-31-44(32-28-40)58(4,5)6/h7-36H,1-6H3
InChIKeyBOGOCJIOMBZGOE-UHFFFAOYSA-N
MW773.04 g/mol
LogP16.02
Rot. Bonds5

About 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline

2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline (PubChem CID 177454464) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
PubChem CID177454464
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC Name2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4c(-c4c5ccccc5cc5c(-c6ccccc6)cc(-c6ccc(C(C)(C)C)cc6)nc45)c3n2)cc1
InChIInChI=1S/C58H48N2/c1-57(2,3)43-29-25-39(26-30-43)51-35-47(37-17-9-7-10-18-37)49-33-41-21-13-15-23-45(41)53(55(49)59-51)54-46-24-16-14-22-42(46)34-50-48(38-19-11-8-12-20-38)36-52(60-56(50)54)40-27-31-44(32-28-40)58(4,5)6/h7-36H,1-6H3
InChIKeyBOGOCJIOMBZGOE-UHFFFAOYSA-N
XLogP16.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline
CID 175588713
2-(2-tert-butylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813351
4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89016586
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
CID 141284541
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-di(phenanthren-9-yl)benzo[h]quinoline
CID 89137298
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
5-[4-(4-tert-butylphenyl)-2-(4-methylphenyl)quinolin-8-yl]-10-phenylphenazine
CID 176668842
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline?
The IUPAC name of 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline (CID 177454464) is 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline.
What is the SMILES notation for 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline?
The canonical SMILES for 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline is CC(C)(C)c1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4c(-c4c5ccccc5cc5c(-c6ccccc6)cc(-c6ccc(C(C)(C)C)cc6)nc45)c3n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline?
The InChIKey is BOGOCJIOMBZGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-57(2,3)43-29-25-39(26-30-43)51-35-47(37-17-9-7-10-18-37)49-33-41-21-13-15-23-45(41)53(55(49)59-51)54-46-24-16-14-22-42(46)34-50-48(38-19-11-8-12-20-38)36-52(60-56(50)54)40-27-31-44(32-28-40)58(4,5)6/h7-36H,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline?
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline has a molecular weight of 773.04 g/mol, XLogP of 16.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline is sourced from PubChem (CID 177454464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).