1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene

C36H26 — CID 170522173

IUPAC1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
SMILESCc1cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1
InChIInChI=1S/C36H26/c1-25-23-26-13-8-9-18-29(26)33(24-25)32-21-12-20-31-30-19-10-11-22-34(30)36(35(31)32,27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-24H,1H3
InChIKeyHSICWGMVOVUNHA-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.18
Rot. Bonds3

About 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene

1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene (PubChem CID 170522173) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
PubChem CID170522173
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene
SMILESCc1cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1
InChIInChI=1S/C36H26/c1-25-23-26-13-8-9-18-29(26)33(24-25)32-21-12-20-31-30-19-10-11-22-34(30)36(35(31)32,27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-24H,1H3
InChIKeyHSICWGMVOVUNHA-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

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Related Compounds

1-(3,5-dimethylphenyl)-9,9-diphenylfluorene
CID 159307684
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
3-(3-methylnaphthalen-1-yl)-9,9'-spirobi[fluorene]
CID 156896750
1-(4-methylphenyl)-9,9-diphenylfluorene
CID 123914511
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
11,11-diphenyl-4-pyren-1-ylbenzo[a]fluorene
CID 159765639
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
1-[10-(9,9-diphenylfluoren-1-yl)-8-(9-methylcarbazol-1-yl)anthracen-1-yl]-9-methylcarbazole
CID 155333527
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
CID 140863592
CID 140863592

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene?
The IUPAC name of 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene (CID 170522173) is 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene.
What is the SMILES notation for 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene?
The canonical SMILES for 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene is Cc1cc(-c2cccc3c2C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2c1.
What is the InChIKey of 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene?
The InChIKey is HSICWGMVOVUNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-25-23-26-13-8-9-18-29(26)33(24-25)32-21-12-20-31-30-19-10-11-22-34(30)36(35(31)32,27-14-4-2-5-15-27)28-16-6-3-7-17-28/h2-24H,1H3.
What are the key properties of 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene?
1-(3-methylnaphthalen-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 1-(3-methylnaphthalen-1-yl)-9,9-diphenylfluorene is sourced from PubChem (CID 170522173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).