10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene

C46H30 — CID 58322799

IUPAC10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C46H30/c1-2-11-31(12-3-1)38-27-28-43-44(30-38)45(35-24-21-33(22-25-35)37-26-23-32-13-4-5-15-36(32)29-37)41-18-8-9-19-42(41)46(43)40-20-10-16-34-14-6-7-17-39(34)40/h1-30H
InChIKeyINFMGXMKQYFDMU-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene

10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene (PubChem CID 58322799) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
PubChem CID58322799
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1
InChIInChI=1S/C46H30/c1-2-11-31(12-3-1)38-27-28-43-44(30-38)45(35-24-21-33(22-25-35)37-26-23-32-13-4-5-15-36(32)29-37)41-18-8-9-19-42(41)46(43)40-20-10-16-34-14-6-7-17-39(34)40/h1-30H
InChIKeyINFMGXMKQYFDMU-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'}

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Related Compounds

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
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
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826
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
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene?
The IUPAC name of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene (CID 58322799) is 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene.
What is the SMILES notation for 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene?
The canonical SMILES for 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)cc1.
What is the InChIKey of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene?
The InChIKey is INFMGXMKQYFDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-11-31(12-3-1)38-27-28-43-44(30-38)45(35-24-21-33(22-25-35)37-26-23-32-13-4-5-15-36(32)29-37)41-18-8-9-19-42(41)46(43)40-20-10-16-34-14-6-7-17-39(34)40/h1-30H.
What are the key properties of 10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene?
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene 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-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene is sourced from PubChem (CID 58322799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).