9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline

C45H29N — CID 89342073

IUPAC9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
SMILESc1ccc(-c2c3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1
InChIInChI=1S/C45H29N/c1-3-12-33(13-4-1)42-40-27-24-35-17-10-28-46-45(35)44(40)43(34-14-5-2-6-15-34)39-26-25-36(29-41(39)42)30-20-22-32(23-21-30)38-19-9-16-31-11-7-8-18-37(31)38/h1-29H
InChIKeyLPZYQGMWCBLWLY-UHFFFAOYSA-N
MW583.73 g/mol
LogP12.36
Rot. Bonds4

About 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline

9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline (PubChem CID 89342073) has the molecular formula C45H29N and a molecular weight of 583.73 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
PubChem CID89342073
Molecular FormulaC45H29N
Molecular Weight583.73 g/mol
Exact Mass583.23
IUPAC Name9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
SMILESc1ccc(-c2c3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1
InChIInChI=1S/C45H29N/c1-3-12-33(13-4-1)42-40-27-24-35-17-10-28-46-45(35)44(40)43(34-14-5-2-6-15-34)39-26-25-36(29-41(39)42)30-20-22-32(23-21-30)38-19-9-16-31-11-7-8-18-37(31)38/h1-29H
InChIKeyLPZYQGMWCBLWLY-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_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
CID 140792247
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(9,9-dimethylfluoren-2-yl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342054
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
9,10-bis(4-phenylphenyl)anthracene;10-naphthalen-2-yl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;10-naphthalen-1-yl-7,12-dinaphthalen-2-ylbenzo[a]anthracene;10-phenyl-7,12-bis(4-phenylphenyl)benzo[a]anthracene;7,10,12-trinaphthalen-2-ylbenzo[a]anthracene
CID 160634464
7,12-diphenyl-9-(6-pyridin-4-yl-2-pyridinyl)naphtho[2,3-h]quinoline
CID 89342106
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159156782
5-(6-naphthalen-1-ylnaphthalen-2-yl)-10-phenylbenzo[g]quinoline
CID 59183100
9-(4-naphthalen-1-ylphenyl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 59398966

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline (CID 89342073) is 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline is c1ccc(-c2c3cc(-c4ccc(-c5cccc6ccccc56)cc4)ccc3c(-c3ccccc3)c3c2ccc2cccnc23)cc1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline?
The InChIKey is LPZYQGMWCBLWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N/c1-3-12-33(13-4-1)42-40-27-24-35-17-10-28-46-45(35)44(40)43(34-14-5-2-6-15-34)39-26-25-36(29-41(39)42)30-20-22-32(23-21-30)38-19-9-16-31-11-7-8-18-37(31)38/h1-29H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline?
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]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 9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline is sourced from PubChem (CID 89342073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).