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

C36H26 — CID 156896834

IUPAC6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26/c1-25-19-22-34-33(23-25)32-21-20-27(31-18-10-12-26-11-8-9-17-30(26)31)24-35(32)36(34,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3
InChIKeyOETOZDWKWJGORV-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.18
Rot. Bonds3

About 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene

6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene (PubChem CID 156896834) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene.

Molecular Properties

Compound Name6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
PubChem CID156896834
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
SMILESCc1ccc2c(c1)-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H26/c1-25-19-22-34-33(23-25)32-21-20-27(31-18-10-12-26-11-8-9-17-30(26)31)24-35(32)36(34,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3
InChIKeyOETOZDWKWJGORV-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 6-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-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
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
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;1-[4-(4-methylphenyl)phenyl]naphthalene;2-[4-(4-methylphenyl)phenyl]naphthalene
CID 157431212
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
8-methyl-11,11-bis(4-phenylphenyl)benzo[a]fluorene
CID 158761920
2-methyl-9,9-diphenylfluorene;1-(2-methylphenyl)naphthalene;1-(3-methylphenyl)naphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene
CID 158548033
2-(7-iodonaphthalen-1-yl)-9,9-bis(4-methylphenyl)fluorene
CID 126546625
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The IUPAC name of 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene (CID 156896834) is 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene.
What is the SMILES notation for 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The canonical SMILES for 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene is Cc1ccc2c(c1)-c1ccc(-c3cccc4ccccc34)cc1C2(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
The InChIKey is OETOZDWKWJGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-25-19-22-34-33(23-25)32-21-20-27(31-18-10-12-26-11-8-9-17-30(26)31)24-35(32)36(34,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3.
What are the key properties of 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene?
6-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 6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene is sourced from PubChem (CID 156896834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).