10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene

C46H30 — CID 140792247

IUPAC10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccccc4)c4c3ccc3ccccc34)c2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)35-20-11-21-37(29-35)44-41-27-26-36(39-24-12-19-32-15-7-9-22-38(32)39)30-43(41)45(34-17-5-2-6-18-34)46-40-23-10-8-16-33(40)25-28-42(44)46/h1-30H
InChIKeyOVKGDUAARCSVKM-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene

10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene (PubChem CID 140792247) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
PubChem CID140792247
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene
SMILESc1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccccc4)c4c3ccc3ccccc34)c2)cc1
InChIInChI=1S/C46H30/c1-3-13-31(14-4-1)35-20-11-21-37(29-35)44-41-27-26-36(39-24-12-19-32-15-7-9-22-38(32)39)30-43(41)45(34-17-5-2-6-18-34)46-40-23-10-8-16-33(40)25-28-42(44)46/h1-30H
InChIKeyOVKGDUAARCSVKM-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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-(3-naphthalen-1-ylphenyl)-12-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 58535955
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
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
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
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
N-[4-[3-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 89279787
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene?
The IUPAC name of 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene (CID 140792247) is 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene?
The canonical SMILES for 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene is c1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccccc4)c4c3ccc3ccccc34)c2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene?
The InChIKey is OVKGDUAARCSVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-3-13-31(14-4-1)35-20-11-21-37(29-35)44-41-27-26-36(39-24-12-19-32-15-7-9-22-38(32)39)30-43(41)45(34-17-5-2-6-18-34)46-40-23-10-8-16-33(40)25-28-42(44)46/h1-30H.
What are the key properties of 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene?
10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-1-yl-12-phenyl-7-(3-phenylphenyl)benzo[a]anthracene is sourced from PubChem (CID 140792247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).