9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene

C31H22 — CID 171046034

IUPAC9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
SMILESCc1c2ccccc2c(-c2cc(-c3ccccc3)cc3ccccc23)c2ccccc12
InChIInChI=1S/C31H22/c1-21-25-14-7-9-17-28(25)31(29-18-10-8-15-26(21)29)30-20-24(22-11-3-2-4-12-22)19-23-13-5-6-16-27(23)30/h2-20H,1H3
InChIKeyBVAPBXGBMQIIAP-UHFFFAOYSA-N
MW394.52 g/mol
LogP8.79
Rot. Bonds2

About 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene

9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene (PubChem CID 171046034) has the molecular formula C31H22 and a molecular weight of 394.52 g/mol. Its IUPAC name is 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
PubChem CID171046034
Molecular FormulaC31H22
Molecular Weight394.52 g/mol
Exact Mass394.17
IUPAC Name9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene
SMILESCc1c2ccccc2c(-c2cc(-c3ccccc3)cc3ccccc23)c2ccccc12
InChIInChI=1S/C31H22/c1-21-25-14-7-9-17-28(25)31(29-18-10-8-15-26(21)29)30-20-24(22-11-3-2-4-12-22)19-23-13-5-6-16-27(23)30/h2-20H,1H3
InChIKeyBVAPBXGBMQIIAP-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 58.79
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-(4-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene
CID 123234809
9-(4-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123968907
9-(3-phenylnaphthalen-1-yl)-10-(7-phenylnaphthalen-1-yl)anthracene
CID 156677059
1,2,3,4,5,6,7,8-octadeuterio-9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene
CID 153474320
9-(2-methylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123185164
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
9-methyl-10-phenylanthracene;1-[3-(3-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;1-[3-(4-methylphenyl)-5-naphthalen-1-ylphenyl]naphthalene;2-[3-(3-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene;2-[3-(4-methylphenyl)-5-naphthalen-2-ylphenyl]naphthalene
CID 158361137
9-(2,5-dimethylphenyl)-10-[3-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]anthracene
CID 123956480
3-[4-[10-(3-pyridin-3-ylnaphthalen-1-yl)anthracen-9-yl]phenyl]pyridine
CID 118564006
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
2-phenyl-4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-6-(3-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176632455

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene (CID 171046034) is 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene is Cc1c2ccccc2c(-c2cc(-c3ccccc3)cc3ccccc23)c2ccccc12.
What is the InChIKey of 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene?
The InChIKey is BVAPBXGBMQIIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22/c1-21-25-14-7-9-17-28(25)31(29-18-10-8-15-26(21)29)30-20-24(22-11-3-2-4-12-22)19-23-13-5-6-16-27(23)30/h2-20H,1H3.
What are the key properties of 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene?
9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene has a molecular weight of 394.52 g/mol, XLogP of 8.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-(3-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 171046034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).