9,10-bis(7-methylnaphthalen-2-yl)anthracene

C36H26 — CID 140856010

IUPAC9,10-bis(7-methylnaphthalen-2-yl)anthracene
SMILESCc1ccc2ccc(-c3c4ccccc4c(-c4ccc5ccc(C)cc5c4)c4ccccc34)cc2c1
InChIInChI=1S/C36H26/c1-23-11-13-25-15-17-27(21-29(25)19-23)35-31-7-3-5-9-33(31)36(34-10-6-4-8-32(34)35)28-18-16-26-14-12-24(2)20-30(26)22-28/h3-22H,1-2H3
InChIKeyLXFAFULOOVSQMC-UHFFFAOYSA-N
MW458.60 g/mol
LogP10.25
Rot. Bonds2

About 9,10-bis(7-methylnaphthalen-2-yl)anthracene

9,10-bis(7-methylnaphthalen-2-yl)anthracene (PubChem CID 140856010) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 9,10-bis(7-methylnaphthalen-2-yl)anthracene.

Molecular Properties

Compound Name9,10-bis(7-methylnaphthalen-2-yl)anthracene
PubChem CID140856010
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name9,10-bis(7-methylnaphthalen-2-yl)anthracene
SMILESCc1ccc2ccc(-c3c4ccccc4c(-c4ccc5ccc(C)cc5c4)c4ccccc34)cc2c1
InChIInChI=1S/C36H26/c1-23-11-13-25-15-17-27(21-29(25)19-23)35-31-7-3-5-9-33(31)36(34-10-6-4-8-32(34)35)28-18-16-26-14-12-24(2)20-30(26)22-28/h3-22H,1-2H3
InChIKeyLXFAFULOOVSQMC-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 510.25
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-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
4-[4-[7-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]phenyl]pyridine
CID 88554433
2-[3-[10-[6-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-5-phenylthiophene
CID 58876218
2-methylnaphthalene;9-methyl-10-(4-phenylphenyl)anthracene;toluene
CID 143494695
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(7-methylnaphthalen-2-yl)anthracene?
The IUPAC name of 9,10-bis(7-methylnaphthalen-2-yl)anthracene (CID 140856010) is 9,10-bis(7-methylnaphthalen-2-yl)anthracene.
What is the SMILES notation for 9,10-bis(7-methylnaphthalen-2-yl)anthracene?
The canonical SMILES for 9,10-bis(7-methylnaphthalen-2-yl)anthracene is Cc1ccc2ccc(-c3c4ccccc4c(-c4ccc5ccc(C)cc5c4)c4ccccc34)cc2c1.
What is the InChIKey of 9,10-bis(7-methylnaphthalen-2-yl)anthracene?
The InChIKey is LXFAFULOOVSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-23-11-13-25-15-17-27(21-29(25)19-23)35-31-7-3-5-9-33(31)36(34-10-6-4-8-32(34)35)28-18-16-26-14-12-24(2)20-30(26)22-28/h3-22H,1-2H3.
What are the key properties of 9,10-bis(7-methylnaphthalen-2-yl)anthracene?
9,10-bis(7-methylnaphthalen-2-yl)anthracene has a molecular weight of 458.60 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(7-methylnaphthalen-2-yl)anthracene is sourced from PubChem (CID 140856010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).