9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene

C44H28 — CID 58194333

IUPAC9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C44H28/c1-2-11-29(12-3-1)33-25-26-40-42(27-33)44(37-20-10-15-30-13-4-6-16-35(30)37)39-19-9-8-18-38(39)43(40)34-24-23-32-22-21-31-14-5-7-17-36(31)41(32)28-34/h1-28H
InChIKeyQSBXFMISQQCZKG-UHFFFAOYSA-N
MW556.71 g/mol
LogP12.45
Rot. Bonds3

About 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene

9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene (PubChem CID 58194333) has the molecular formula C44H28 and a molecular weight of 556.71 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
PubChem CID58194333
Molecular FormulaC44H28
Molecular Weight556.71 g/mol
Exact Mass556.22
IUPAC Name9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1
InChIInChI=1S/C44H28/c1-2-11-29(12-3-1)33-25-26-40-42(27-33)44(37-20-10-15-30-13-4-6-16-35(30)37)39-19-9-8-18-38(39)43(40)34-24-23-32-22-21-31-14-5-7-17-36(31)41(32)28-34/h1-28H
InChIKeyQSBXFMISQQCZKG-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 512.45
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-naphthalen-2-yl-10-phenanthren-2-yl-2,6-diphenylanthracene;9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-1-yl-9-phenanthren-3-yl-2-phenylanthracene;10-naphthalen-2-yl-9-phenanthren-2-yl-2-phenylanthracene
CID 161355195
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
CID 58323308
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

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene?
The IUPAC name of 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene (CID 58194333) is 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene is c1ccc(-c2ccc3c(-c4ccc5ccc6ccccc6c5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1.
What is the InChIKey of 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene?
The InChIKey is QSBXFMISQQCZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28/c1-2-11-29(12-3-1)33-25-26-40-42(27-33)44(37-20-10-15-30-13-4-6-16-35(30)37)39-19-9-8-18-38(39)43(40)34-24-23-32-22-21-31-14-5-7-17-36(31)41(32)28-34/h1-28H.
What are the key properties of 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene?
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene has a molecular weight of 556.71 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene is sourced from PubChem (CID 58194333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).