[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol

C31H26O — CID 70018173

IUPAC[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol
SMILESCc1cccc(-c2ccc(CO)c(-c3cccc(C)c3)c2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C31H26O/c1-21-7-5-11-25(17-21)29-16-15-28(20-32)30(26-12-6-8-22(2)18-26)31(29)27-14-13-23-9-3-4-10-24(23)19-27/h3-19,32H,20H2,1-2H3
InChIKeyHFYFIXHFHBFSCM-UHFFFAOYSA-N
MW414.55 g/mol
LogP7.95
Rot. Bonds4

About [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol

[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol (PubChem CID 70018173) has the molecular formula C31H26O and a molecular weight of 414.55 g/mol. Its IUPAC name is [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol.

Molecular Properties

Compound Name[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol
PubChem CID70018173
Molecular FormulaC31H26O
Molecular Weight414.55 g/mol
Exact Mass414.20
IUPAC Name[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol
SMILESCc1cccc(-c2ccc(CO)c(-c3cccc(C)c3)c2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C31H26O/c1-21-7-5-11-25(17-21)29-16-15-28(20-32)30(26-12-6-8-22(2)18-26)31(29)27-14-13-23-9-3-4-10-24(23)19-27/h3-19,32H,20H2,1-2H3
InChIKeyHFYFIXHFHBFSCM-UHFFFAOYSA-N
XLogP7.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol 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

ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
CID 157325912
2-[1-(3-methylphenyl)naphthalen-2-yl]triphenylene
CID 145415013
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
1,3,6,8-tetrakis(3-methylphenyl)pyrene;1,3,6,8-tetranaphthalen-2-ylpyrene;1,3,6,8-tetraphenylpyrene
CID 161370892
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene
CID 59413057
2-naphthalen-2-yl-1-(2-naphthalen-2-ylnaphthalen-1-yl)naphthalene
CID 10744186
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
9-(3-methylphenyl)-10-[8-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837207
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol?
The IUPAC name of [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol (CID 70018173) is [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol.
What is the SMILES notation for [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol?
The canonical SMILES for [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol is Cc1cccc(-c2ccc(CO)c(-c3cccc(C)c3)c2-c2ccc3ccccc3c2)c1.
What is the InChIKey of [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol?
The InChIKey is HFYFIXHFHBFSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O/c1-21-7-5-11-25(17-21)29-16-15-28(20-32)30(26-12-6-8-22(2)18-26)31(29)27-14-13-23-9-3-4-10-24(23)19-27/h3-19,32H,20H2,1-2H3.
What are the key properties of [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol?
[2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol has a molecular weight of 414.55 g/mol, XLogP of 7.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(3-methylphenyl)-3-naphthalen-2-ylphenyl]methanol is sourced from PubChem (CID 70018173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).