1,10-bis(2-methylnaphthalen-1-yl)anthracene

C36H26 — CID 123816307

IUPAC1,10-bis(2-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc2ccccc2c1-c1cccc2c(-c3c(C)ccc4ccccc34)c3ccccc3cc12
InChIInChI=1S/C36H26/c1-23-18-20-25-10-3-6-13-28(25)34(23)31-16-9-17-32-33(31)22-27-12-5-8-15-30(27)36(32)35-24(2)19-21-26-11-4-7-14-29(26)35/h3-22H,1-2H3
InChIKeyULAPRSHDTIQFDV-UHFFFAOYSA-N
MW458.60 g/mol
LogP10.25
Rot. Bonds2

About 1,10-bis(2-methylnaphthalen-1-yl)anthracene

1,10-bis(2-methylnaphthalen-1-yl)anthracene (PubChem CID 123816307) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1,10-bis(2-methylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name1,10-bis(2-methylnaphthalen-1-yl)anthracene
PubChem CID123816307
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name1,10-bis(2-methylnaphthalen-1-yl)anthracene
SMILESCc1ccc2ccccc2c1-c1cccc2c(-c3c(C)ccc4ccccc34)c3ccccc3cc12
InChIInChI=1S/C36H26/c1-23-18-20-25-10-3-6-13-28(25)34(23)31-16-9-17-32-33(31)22-27-12-5-8-15-30(27)36(32)35-24(2)19-21-26-11-4-7-14-29(26)35/h3-22H,1-2H3
InChIKeyULAPRSHDTIQFDV-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

2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1,10-dinaphthalen-1-ylanthracene
CID 58645117
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
8-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123644707
2-methyl-1-(3-methylnaphthalen-1-yl)naphthalene
CID 15148511
2,3-dimethyl-1-(2-methylnaphthalen-1-yl)-4-(2-methylphenyl)naphthalene
CID 145390572
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
CID 53236008
11-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 123944881
1-(2,6-dimethylphenyl)pentacene
CID 163989342
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926

Frequently Asked Questions

What is the IUPAC name of 1,10-bis(2-methylnaphthalen-1-yl)anthracene?
The IUPAC name of 1,10-bis(2-methylnaphthalen-1-yl)anthracene (CID 123816307) is 1,10-bis(2-methylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 1,10-bis(2-methylnaphthalen-1-yl)anthracene?
The canonical SMILES for 1,10-bis(2-methylnaphthalen-1-yl)anthracene is Cc1ccc2ccccc2c1-c1cccc2c(-c3c(C)ccc4ccccc34)c3ccccc3cc12.
What is the InChIKey of 1,10-bis(2-methylnaphthalen-1-yl)anthracene?
The InChIKey is ULAPRSHDTIQFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-23-18-20-25-10-3-6-13-28(25)34(23)31-16-9-17-32-33(31)22-27-12-5-8-15-30(27)36(32)35-24(2)19-21-26-11-4-7-14-29(26)35/h3-22H,1-2H3.
What are the key properties of 1,10-bis(2-methylnaphthalen-1-yl)anthracene?
1,10-bis(2-methylnaphthalen-1-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 1,10-bis(2-methylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 123816307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).