9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene

C43H30 — CID 144837207

IUPAC9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccccc5-c5ccccc5)c4c3)c3ccccc23)c1
InChIInChI=1S/C43H30/c1-29-13-11-17-32(27-29)42-37-20-7-9-22-39(37)43(40-23-10-8-21-38(40)42)33-26-25-31-16-12-24-36(41(31)28-33)35-19-6-5-18-34(35)30-14-3-2-4-15-30/h2-28H,1H3
InChIKeyZPOOGUXSCAXNHY-UHFFFAOYSA-N
MW546.71 g/mol
LogP12.12
Rot. Bonds4

About 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene

9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 144837207) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID144837207
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccccc5-c5ccccc5)c4c3)c3ccccc23)c1
InChIInChI=1S/C43H30/c1-29-13-11-17-32(27-29)42-37-20-7-9-22-39(37)43(40-23-10-8-21-38(40)42)33-26-25-31-16-12-24-36(41(31)28-33)35-19-6-5-18-34(35)30-14-3-2-4-15-30/h2-28H,1H3
InChIKeyZPOOGUXSCAXNHY-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-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
9-phenanthren-3-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene
CID 58194536
9-[8-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837308
3-phenyl-6-[10-(2-phenylphenyl)anthracen-9-yl]phenanthrene
CID 177264858
9-naphthalen-1-yl-10-[3-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786914
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
9-(7-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-2-yl)anthracene
CID 156677112
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-naphthalen-2-yl-10-(4-naphthalen-1-yl-3-phenylphenyl)anthracene
CID 58856517
9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 165020657

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene (CID 144837207) is 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene is Cc1cccc(-c2c3ccccc3c(-c3ccc4cccc(-c5ccccc5-c5ccccc5)c4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is ZPOOGUXSCAXNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-29-13-11-17-32(27-29)42-37-20-7-9-22-39(37)43(40-23-10-8-21-38(40)42)33-26-25-31-16-12-24-36(41(31)28-33)35-19-6-5-18-34(35)30-14-3-2-4-15-30/h2-28H,1H3.
What are the key properties of 9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene?
9-(3-methylphenyl)-10-[8-(2-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-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 144837207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).