8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline

C44H28N2 — CID 171422431

IUPAC8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
SMILESc1cnc2c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(-c4cccc5cccnc45)c3)cccc2c1
InChIInChI=1S/C44H28N2/c1-2-14-37-33(9-1)28-42(41-16-4-3-15-40(37)41)30-21-19-29(20-22-30)34-25-35(38-17-5-10-31-12-7-23-45-43(31)38)27-36(26-34)39-18-6-11-32-13-8-24-46-44(32)39/h1-28H
InChIKeyYDEZZUOXHNRBOR-UHFFFAOYSA-N
MW584.72 g/mol
LogP11.76
Rot. Bonds4

About 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline

8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline (PubChem CID 171422431) has the molecular formula C44H28N2 and a molecular weight of 584.72 g/mol. Its IUPAC name is 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline.

Molecular Properties

Compound Name8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
PubChem CID171422431
Molecular FormulaC44H28N2
Molecular Weight584.72 g/mol
Exact Mass584.23
IUPAC Name8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline
SMILESc1cnc2c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(-c4cccc5cccnc45)c3)cccc2c1
InChIInChI=1S/C44H28N2/c1-2-14-37-33(9-1)28-42(41-16-4-3-15-40(37)41)30-21-19-29(20-22-30)34-25-35(38-17-5-10-31-12-7-23-45-43(31)38)27-36(26-34)39-18-6-11-32-13-8-24-46-44(32)39/h1-28H
InChIKeyYDEZZUOXHNRBOR-UHFFFAOYSA-N
XLogP11.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.72
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322534
2,6-di(phenanthren-9-yl)-4-(4-quinolin-8-ylphenyl)benzo[h]quinoline
CID 89137285
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581
3-(3-chrysen-6-yl-5-quinolin-8-ylphenyl)-1,10-phenanthroline
CID 171459902
N-[1-(3-phenanthren-9-yl-5-quinolin-8-ylphenyl)ethyl]methanimine
CID 126729449
13-[3-(4-quinolin-8-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134453283
8-[3-[10-[3-(2,4-diphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394585
8-[5-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]-2-pyridinyl]quinoline
CID 118372253
5-[4-[4-[3-phenanthren-9-yl-5-(3-pyrimidin-2-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoxaline
CID 122416073
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
4-(3-phenanthren-9-ylphenyl)-1,10-phenanthroline
CID 168853179

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline?
The IUPAC name of 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline (CID 171422431) is 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline.
What is the SMILES notation for 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline?
The canonical SMILES for 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline is c1cnc2c(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(-c4cccc5cccnc45)c3)cccc2c1.
What is the InChIKey of 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline?
The InChIKey is YDEZZUOXHNRBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2/c1-2-14-37-33(9-1)28-42(41-16-4-3-15-40(37)41)30-21-19-29(20-22-30)34-25-35(38-17-5-10-31-12-7-23-45-43(31)38)27-36(26-34)39-18-6-11-32-13-8-24-46-44(32)39/h1-28H.
What are the key properties of 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline?
8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline has a molecular weight of 584.72 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-phenanthren-9-ylphenyl)-5-quinolin-8-ylphenyl]quinoline is sourced from PubChem (CID 171422431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).