9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene

C43H30 — CID 163825229

IUPAC9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C43H30/c1-29-11-9-16-36(25-29)42-38-17-5-7-19-40(38)43(41-20-8-6-18-39(41)42)37-24-23-34-27-33(21-22-35(34)28-37)32-15-10-14-31(26-32)30-12-3-2-4-13-30/h2-28H,1H3
InChIKeyLCNFVOASGLNDHS-UHFFFAOYSA-N
MW546.71 g/mol
LogP12.12
Rot. Bonds4

About 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene

9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene (PubChem CID 163825229) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
PubChem CID163825229
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
SMILESCc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)c1
InChIInChI=1S/C43H30/c1-29-11-9-16-36(25-29)42-38-17-5-7-19-40(38)43(41-20-8-6-18-39(41)42)37-24-23-34-27-33(21-22-35(34)28-37)32-15-10-14-31(26-32)30-12-3-2-4-13-30/h2-28H,1H3
InChIKeyLCNFVOASGLNDHS-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-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
9-(3-methylphenyl)-2,7-diphenylanthracene
CID 142700269
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
9-[6-(3-phenylphenyl)naphthalen-2-yl]-10-[2-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 58965810
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
9-(3-anthracen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706350

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene (CID 163825229) is 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene is Cc1cccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc(-c6ccccc6)c5)ccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is LCNFVOASGLNDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-29-11-9-16-36(25-29)42-38-17-5-7-19-40(38)43(41-20-8-6-18-39(41)42)37-24-23-34-27-33(21-22-35(34)28-37)32-15-10-14-31(26-32)30-12-3-2-4-13-30/h2-28H,1H3.
What are the key properties of 9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene?
9-(3-methylphenyl)-10-[6-(3-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-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 163825229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).