4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene

C48H30 — CID 122368009

IUPAC4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c3c2)cc1
InChIInChI=1S/C48H30/c1-2-11-31(12-3-1)36-23-26-44-46(30-36)48(43-18-9-8-17-42(43)47(44)38-22-21-32-13-4-5-14-33(32)28-38)41-20-10-19-39-40(41)25-24-37-27-34-15-6-7-16-35(34)29-45(37)39/h1-30H
InChIKeyNSELOQKUTWRZPI-UHFFFAOYSA-N
MW606.77 g/mol
LogP13.61
Rot. Bonds3

About 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene

4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene (PubChem CID 122368009) has the molecular formula C48H30 and a molecular weight of 606.77 g/mol. Its IUPAC name is 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene.

Molecular Properties

Compound Name4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
PubChem CID122368009
Molecular FormulaC48H30
Molecular Weight606.77 g/mol
Exact Mass606.23
IUPAC Name4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c3c2)cc1
InChIInChI=1S/C48H30/c1-2-11-31(12-3-1)36-23-26-44-46(30-36)48(43-18-9-8-17-42(43)47(44)38-22-21-32-13-4-5-14-33(32)28-38)41-20-10-19-39-40(41)25-24-37-27-34-15-6-7-16-35(34)29-45(37)39/h1-30H
InChIKeyNSELOQKUTWRZPI-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.77
LogP ≤ 513.61
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

4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)benzo[a]anthracene;4-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)benzo[a]anthracene;4-[9-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene;4-[10-naphthalen-1-yl-9-(3-phenylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 162211913
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
10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322690
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923
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
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 158321046
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-phenanthren-3-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;4-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-phenylanthracen-9-yl)benzo[c]phenanthrene;9-phenyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 159751343
4-(10-phenylanthracen-9-yl)benzo[a]anthracene
CID 59412708
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

Frequently Asked Questions

What is the IUPAC name of 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene?
The IUPAC name of 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene (CID 122368009) is 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene.
What is the SMILES notation for 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene?
The canonical SMILES for 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c3c2)cc1.
What is the InChIKey of 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene?
The InChIKey is NSELOQKUTWRZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30/c1-2-11-31(12-3-1)36-23-26-44-46(30-36)48(43-18-9-8-17-42(43)47(44)38-22-21-32-13-4-5-14-33(32)28-38)41-20-10-19-39-40(41)25-24-37-27-34-15-6-7-16-35(34)29-45(37)39/h1-30H.
What are the key properties of 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene?
4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene has a molecular weight of 606.77 g/mol, XLogP of 13.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)benzo[a]anthracene is sourced from PubChem (CID 122368009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).