9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene

C46H30 — CID 123234809

IUPAC9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-13-34(14-3-1)45-40-18-8-10-20-42(40)46(43-21-11-9-19-41(43)45)44-30-38(29-37-16-6-7-17-39(37)44)33-24-22-32(23-25-33)36-27-26-31-12-4-5-15-35(31)28-36/h1-30H
InChIKeyQAMJZEMZCPAYPL-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene

9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene (PubChem CID 123234809) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
PubChem CID123234809
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-2-13-34(14-3-1)45-40-18-8-10-20-42(40)46(43-21-11-9-19-41(43)45)44-30-38(29-37-16-6-7-17-39(37)44)33-24-22-32(23-25-33)36-27-26-31-12-4-5-15-35(31)28-36/h1-30H
InChIKeyQAMJZEMZCPAYPL-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-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
9-[3-(4-naphthalen-1-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 157105875
9-(5-naphthalen-2-yl-2-phenylphenyl)-10-(4-phenylphenyl)anthracene
CID 176775937
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160897071
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-(3,4-diphenylnaphthalen-1-yl)-10-naphthalen-2-ylanthracene;9-(4,6-diphenylnaphthalen-1-yl)-10-naphthalen-2-ylanthracene;9-(3-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene;9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 159581281
9-[2-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123816482
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?
The IUPAC name of 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene (CID 123234809) is 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?
The canonical SMILES for 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?
The InChIKey is QAMJZEMZCPAYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-13-34(14-3-1)45-40-18-8-10-20-42(40)46(43-21-11-9-19-41(43)45)44-30-38(29-37-16-6-7-17-39(37)44)33-24-22-32(23-25-33)36-27-26-31-12-4-5-15-35(31)28-36/h1-30H.
What are the key properties of 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene?
9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-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 9-[3-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene is sourced from PubChem (CID 123234809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).