2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene

C36H26 — CID 145303553

IUPAC2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCc1c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)ccc2ccccc12
InChIInChI=1S/C36H26/c1-25-30-17-9-8-12-26(30)20-22-31(25)27-21-23-33-32-18-10-11-19-34(32)36(35(33)24-27,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3
InChIKeyJLLWTRYDBOZKKY-UHFFFAOYSA-N
MW458.60 g/mol
LogP9.18
Rot. Bonds3

About 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene

2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene (PubChem CID 145303553) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
PubChem CID145303553
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
SMILESCc1c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)ccc2ccccc12
InChIInChI=1S/C36H26/c1-25-30-17-9-8-12-26(30)20-22-31(25)27-21-23-33-32-18-10-11-19-34(32)36(35(33)24-27,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3
InChIKeyJLLWTRYDBOZKKY-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

2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
CID 144920292
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
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
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
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
CID 177121427
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The IUPAC name of 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene (CID 145303553) is 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene.
What is the SMILES notation for 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The canonical SMILES for 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene is Cc1c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)ccc2ccccc12.
What is the InChIKey of 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
The InChIKey is JLLWTRYDBOZKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-25-30-17-9-8-12-26(30)20-22-31(25)27-21-23-33-32-18-10-11-19-34(32)36(35(33)24-27,28-13-4-2-5-14-28)29-15-6-3-7-16-29/h2-24H,1H3.
What are the key properties of 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene?
2-(1-methylnaphthalen-2-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 2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene is sourced from PubChem (CID 145303553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).