10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline

C38H24N2 — CID 20606784

IUPAC10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
SMILESc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccccc6)c5c5ncccc45)c4cccnc4c23)cc1
InChIInChI=1S/C38H24N2/c1-3-11-25(12-4-1)29-17-7-15-27-23-33(31-19-9-21-39-37(31)35(27)29)34-24-28-16-8-18-30(26-13-5-2-6-14-26)36(28)38-32(34)20-10-22-40-38/h1-24H
InChIKeyWLLQZYOSESFSGF-UHFFFAOYSA-N
MW508.62 g/mol
LogP10.09
Rot. Bonds3

About 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline

10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline (PubChem CID 20606784) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline.

Molecular Properties

Compound Name10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
PubChem CID20606784
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline
SMILESc1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccccc6)c5c5ncccc45)c4cccnc4c23)cc1
InChIInChI=1S/C38H24N2/c1-3-11-25(12-4-1)29-17-7-15-27-23-33(31-19-9-21-39-37(31)35(27)29)34-24-28-16-8-18-30(26-13-5-2-6-14-26)36(28)38-32(34)20-10-22-40-38/h1-24H
InChIKeyWLLQZYOSESFSGF-UHFFFAOYSA-N
XLogP10.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 510.09
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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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline?
The IUPAC name of 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline (CID 20606784) is 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline.
What is the SMILES notation for 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline?
The canonical SMILES for 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline is c1ccc(-c2cccc3cc(-c4cc5cccc(-c6ccccc6)c5c5ncccc45)c4cccnc4c23)cc1.
What is the InChIKey of 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline?
The InChIKey is WLLQZYOSESFSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c1-3-11-25(12-4-1)29-17-7-15-27-23-33(31-19-9-21-39-37(31)35(27)29)34-24-28-16-8-18-30(26-13-5-2-6-14-26)36(28)38-32(34)20-10-22-40-38/h1-24H.
What are the key properties of 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline?
10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline has a molecular weight of 508.62 g/mol, XLogP of 10.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5-(10-phenylbenzo[h]quinolin-5-yl)benzo[h]quinoline is sourced from PubChem (CID 20606784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).