9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene

C43H30 — CID 144837228

IUPAC9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccccc6)cc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C43H30/c1-29-18-20-34(21-19-29)42-37-13-5-7-15-39(37)43(40-16-8-6-14-38(40)42)35-27-26-32-12-9-17-36(41(32)28-35)33-24-22-31(23-25-33)30-10-3-2-4-11-30/h2-28H,1H3
InChIKeyMWXLRAZESCDMDQ-UHFFFAOYSA-N
MW546.71 g/mol
LogP12.12
Rot. Bonds4

About 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene

9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 144837228) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID144837228
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccccc6)cc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C43H30/c1-29-18-20-34(21-19-29)42-37-13-5-7-15-39(37)43(40-16-8-6-14-38(40)42)35-27-26-32-12-9-17-36(41(32)28-35)33-24-22-31(23-25-33)30-10-3-2-4-11-30/h2-28H,1H3
InChIKeyMWXLRAZESCDMDQ-UHFFFAOYSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 512.12
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-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-naphthalen-1-yl-10-[7-[8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]naphthalen-1-yl]anthracene
CID 172546641
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
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
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
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 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene (CID 144837228) is 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccc(-c6ccccc6)cc5)c4c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is MWXLRAZESCDMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-29-18-20-34(21-19-29)42-37-13-5-7-15-39(37)43(40-16-8-6-14-38(40)42)35-27-26-32-12-9-17-36(41(32)28-35)33-24-22-31(23-25-33)30-10-3-2-4-11-30/h2-28H,1H3.
What are the key properties of 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene?
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 546.71 g/mol, XLogP of 12.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 144837228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).