2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene

C47H32 — CID 154591181

IUPAC2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)cc32)cc1
InChIInChI=1S/C47H32/c1-3-20-39(21-4-1)47(40-22-5-2-6-23-40)45-27-10-9-25-43(45)44-29-28-37(32-46(44)47)35-17-11-16-34(30-35)36-18-12-19-38(31-36)42-26-13-15-33-14-7-8-24-41(33)42/h1-32H
InChIKeyCLSAHFWGVJDLOL-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.20
Rot. Bonds5

About 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene

2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene (PubChem CID 154591181) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
PubChem CID154591181
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)cc32)cc1
InChIInChI=1S/C47H32/c1-3-20-39(21-4-1)47(40-22-5-2-6-23-40)45-27-10-9-25-43(45)44-29-28-37(32-46(44)47)35-17-11-16-34(30-35)36-18-12-19-38(31-36)42-26-13-15-33-14-7-8-24-41(33)42/h1-32H
InChIKeyCLSAHFWGVJDLOL-UHFFFAOYSA-N
XLogP12.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.77
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
6-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896834
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159070500

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene (CID 154591181) is 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6cccc7ccccc67)c5)c4)cc32)cc1.
What is the InChIKey of 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene?
The InChIKey is CLSAHFWGVJDLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-20-39(21-4-1)47(40-22-5-2-6-23-40)45-27-10-9-25-43(45)44-29-28-37(32-46(44)47)35-17-11-16-34(30-35)36-18-12-19-38(31-36)42-26-13-15-33-14-7-8-24-41(33)42/h1-32H.
What are the key properties of 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene?
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene has a molecular weight of 596.77 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 154591181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).