2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene

C43H32 — CID 144920292

IUPAC2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2ccccc2c1-c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1C
InChIInChI=1S/C43H32/c1-29-24-25-31-14-9-10-19-37(31)42(29)36-22-13-21-35(30(36)2)32-26-27-39-38-20-11-12-23-40(38)43(41(39)28-32,33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-28H,1-2H3
InChIKeyIFNWAQHTVACMHX-UHFFFAOYSA-N
MW548.73 g/mol
LogP11.15
Rot. Bonds4

About 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene

2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene (PubChem CID 144920292) has the molecular formula C43H32 and a molecular weight of 548.73 g/mol. Its IUPAC name is 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
PubChem CID144920292
Molecular FormulaC43H32
Molecular Weight548.73 g/mol
Exact Mass548.25
IUPAC Name2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene
SMILESCc1ccc2ccccc2c1-c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1C
InChIInChI=1S/C43H32/c1-29-24-25-31-14-9-10-19-37(31)42(29)36-22-13-21-35(30(36)2)32-26-27-39-38-20-11-12-23-40(38)43(41(39)28-32,33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-28H,1-2H3
InChIKeyIFNWAQHTVACMHX-UHFFFAOYSA-N
XLogP11.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1-methylnaphthalen-2-yl)-9,9-diphenylfluorene
CID 145303553
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
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
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
2-[1-(3-methylphenyl)naphthalen-2-yl]-9,9'-spirobi[fluorene]
CID 145414946
2-[4-(7,7-dimethylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-(9,9-diphenylfluoren-2-yl)-6-phenylpyrimidine
CID 168779036
2-(9,9-diphenylfluoren-2-yl)-4-phenanthren-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 122416383
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene (CID 144920292) is 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene is Cc1ccc2ccccc2c1-c1cccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1C.
What is the InChIKey of 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene?
The InChIKey is IFNWAQHTVACMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32/c1-29-24-25-31-14-9-10-19-37(31)42(29)36-22-13-21-35(30(36)2)32-26-27-39-38-20-11-12-23-40(38)43(41(39)28-32,33-15-5-3-6-16-33)34-17-7-4-8-18-34/h3-28H,1-2H3.
What are the key properties of 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene?
2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene has a molecular weight of 548.73 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-3-(2-methylnaphthalen-1-yl)phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 144920292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).