2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene

C44H34 — CID 123673434

IUPAC2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
SMILESCc1c(-c2ccc3ccccc3c2C)cc2ccccc2c1-c1c(C)c(-c2ccc3ccccc3c2C)cc2ccccc12
InChIInChI=1S/C44H34/c1-27-35-17-9-5-13-31(35)21-23-37(27)41-25-33-15-7-11-19-39(33)43(29(41)3)44-30(4)42(26-34-16-8-12-20-40(34)44)38-24-22-32-14-6-10-18-36(32)28(38)2/h5-26H,1-4H3
InChIKeySVSZPZBHAGYBDQ-UHFFFAOYSA-N
MW562.76 g/mol
LogP12.53
Rot. Bonds3

About 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene

2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene (PubChem CID 123673434) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
PubChem CID123673434
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene
SMILESCc1c(-c2ccc3ccccc3c2C)cc2ccccc2c1-c1c(C)c(-c2ccc3ccccc3c2C)cc2ccccc12
InChIInChI=1S/C44H34/c1-27-35-17-9-5-13-31(35)21-23-37(27)41-25-33-15-7-11-19-39(33)43(29(41)3)44-30(4)42(26-34-16-8-12-20-40(34)44)38-24-22-32-14-6-10-18-36(32)28(38)2/h5-26H,1-4H3
InChIKeySVSZPZBHAGYBDQ-UHFFFAOYSA-N
XLogP12.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethylphenyl)-1-[3-(2,5-dimethylphenyl)-2-methylnaphthalen-1-yl]-2-methylnaphthalene
CID 140603460
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene;2-methyl-1-[2-methyl-3-(2-methyl-4-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-4-naphthalen-2-ylphenyl)naphthalene;2-methyl-1-[2-methyl-3-(2-methylphenyl)naphthalen-1-yl]-3-(2-methylphenyl)naphthalene;2-methyl-1-[2-methyl-3-(3,4,5-trifluoro-2-methylphenyl)naphthalen-1-yl]-3-(3,4,5-trifluoro-2-methylphenyl)naphthalene
CID 162207665
2-methyl-1-[2-methyl-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalen-1-yl]-3-(2-methyl-5-naphthalen-1-yl-3-naphthalen-2-ylphenyl)naphthalene
CID 123228379
1,3-diphenylnaphthalen-2-ol;1-methyl-2-naphthalen-1-ylnaphthalene;2-phenylnaphthalen-1-ol
CID 160917683
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
10,14-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-one
CID 118473639
9-(2-methyl-3-phenanthren-9-ylphenyl)phenanthrene
CID 58099808
9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
3-bromo-2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene
CID 174680926
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene?
The IUPAC name of 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene (CID 123673434) is 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene.
What is the SMILES notation for 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene?
The canonical SMILES for 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene is Cc1c(-c2ccc3ccccc3c2C)cc2ccccc2c1-c1c(C)c(-c2ccc3ccccc3c2C)cc2ccccc12.
What is the InChIKey of 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene?
The InChIKey is SVSZPZBHAGYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34/c1-27-35-17-9-5-13-31(35)21-23-37(27)41-25-33-15-7-11-19-39(33)43(29(41)3)44-30(4)42(26-34-16-8-12-20-40(34)44)38-24-22-32-14-6-10-18-36(32)28(38)2/h5-26H,1-4H3.
What are the key properties of 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene?
2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene has a molecular weight of 562.76 g/mol, XLogP of 12.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-3-(1-methylnaphthalen-2-yl)naphthalen-1-yl]-3-(1-methylnaphthalen-2-yl)naphthalene is sourced from PubChem (CID 123673434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).