5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene

C36H26 — CID 156896564

IUPAC5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
SMILESCc1cccc2c1-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26/c1-25-12-10-21-33-35(25)32-23-22-27(31-20-11-14-26-13-8-9-19-30(26)31)24-34(32)36(33,28-15-4-2-5-16-28)29-17-6-3-7-18-29/h2-24H,1H3
InChIKeyRLQGRDGDMGPZDV-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.18
Rot. Bonds3

About 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene

5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene (PubChem CID 156896564) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene.

Molecular Properties

Compound Name5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
PubChem CID156896564
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
SMILESCc1cccc2c1-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26/c1-25-12-10-21-33-35(25)32-23-22-27(31-20-11-14-26-13-8-9-19-30(26)31)24-34(32)36(33,28-15-4-2-5-16-28)29-17-6-3-7-18-29/h2-24H,1H3
InChIKeyRLQGRDGDMGPZDV-UHFFFAOYSA-N
XLogP9.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene 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

2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
CID 144920292
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
4-methyl-9,9-diphenylfluorene
CID 123595050
2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034390
4-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168777720
2,7-dinaphthalen-1-yl-9,9-diphenyl-10H-acridine
CID 141492916

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The IUPAC name of 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene (CID 156896564) is 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene.
What is the SMILES notation for 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The canonical SMILES for 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene is Cc1cccc2c1-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The InChIKey is RLQGRDGDMGPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-25-12-10-21-33-35(25)32-23-22-27(31-20-11-14-26-13-8-9-19-30(26)31)24-34(32)36(33,28-15-4-2-5-16-28)29-17-6-3-7-18-29/h2-24H,1H3.
What are the key properties of 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene has a molecular weight of 458.60 g/mol, XLogP of 9.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene is sourced from PubChem (CID 156896564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).