7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene

C41H28 — CID 123532546

IUPAC7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene
SMILESCc1c2ccccc2cc2c1cc(-c1cccc(-c3cccc(-c4cccc5ccccc45)c3)c1)c1ccccc12
InChIInChI=1S/C41H28/c1-27-34-18-4-3-12-33(34)25-41-38-21-7-6-20-37(38)40(26-39(27)41)32-17-9-15-30(24-32)29-14-8-16-31(23-29)36-22-10-13-28-11-2-5-19-35(28)36/h2-26H,1H3
InChIKeyIGNVXXGMHRBNGP-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.61
Rot. Bonds3

About 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene

7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene (PubChem CID 123532546) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene.

Molecular Properties

Compound Name7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene
PubChem CID123532546
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene
SMILESCc1c2ccccc2cc2c1cc(-c1cccc(-c3cccc(-c4cccc5ccccc45)c3)c1)c1ccccc12
InChIInChI=1S/C41H28/c1-27-34-18-4-3-12-33(34)25-41-38-21-7-6-20-37(38)40(26-39(27)41)32-17-9-15-30(24-32)29-14-8-16-31(23-29)36-22-10-13-28-11-2-5-19-35(28)36/h2-26H,1H3
InChIKeyIGNVXXGMHRBNGP-UHFFFAOYSA-N
XLogP11.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,8-dimethyl-6,12-bis(3-naphthalen-1-ylphenyl)chrysene
CID 59434520
6-[4-(3-naphthalen-1-ylphenyl)phenyl]chrysene
CID 140792190
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
10-naphthalen-2-yl-21-(3-naphthalen-1-ylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629400
9-[3,5-bis(3,6-dimethylphenanthren-9-yl)phenyl]-3,6-dimethylphenanthrene;1-[3-[3,5-bis(3-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene;1-[4-[3,5-bis(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 158936046
9-(4-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58151254
1-(3-naphthalen-2-ylphenyl)naphthalene
CID 153293143
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene?
The IUPAC name of 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene (CID 123532546) is 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene.
What is the SMILES notation for 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene?
The canonical SMILES for 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene is Cc1c2ccccc2cc2c1cc(-c1cccc(-c3cccc(-c4cccc5ccccc45)c3)c1)c1ccccc12.
What is the InChIKey of 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene?
The InChIKey is IGNVXXGMHRBNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-27-34-18-4-3-12-33(34)25-41-38-21-7-6-20-37(38)40(26-39(27)41)32-17-9-15-30(24-32)29-14-8-16-31(23-29)36-22-10-13-28-11-2-5-19-35(28)36/h2-26H,1H3.
What are the key properties of 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene?
7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene has a molecular weight of 520.68 g/mol, XLogP of 11.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-[3-(3-naphthalen-1-ylphenyl)phenyl]benzo[a]anthracene is sourced from PubChem (CID 123532546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).