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

C47H32 — CID 154591120

IUPAC2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc32)cc1
InChIInChI=1S/C47H32/c1-3-19-41(20-4-1)47(42-21-5-2-6-22-42)45-24-10-9-23-43(45)44-28-27-40(32-46(44)47)38-18-12-16-36(31-38)35-15-11-17-37(30-35)39-26-25-33-13-7-8-14-34(33)29-39/h1-32H
InChIKeyZUOBDWZRCBGOOI-UHFFFAOYSA-N
MW596.77 g/mol
LogP12.20
Rot. Bonds5

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

2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene (PubChem CID 154591120) has the molecular formula C47H32 and a molecular weight of 596.77 g/mol. Its IUPAC name is 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
PubChem CID154591120
Molecular FormulaC47H32
Molecular Weight596.77 g/mol
Exact Mass596.25
IUPAC Name2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc32)cc1
InChIInChI=1S/C47H32/c1-3-19-41(20-4-1)47(42-21-5-2-6-22-42)45-24-10-9-23-43(45)44-28-27-40(32-46(44)47)38-18-12-16-36(31-38)35-15-11-17-37(30-35)39-26-25-33-13-7-8-14-34(33)29-39/h1-32H
InChIKeyZUOBDWZRCBGOOI-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

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
2,9,9-trinaphthalen-2-ylfluorene
CID 144772576
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene (CID 154591120) is 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5cccc(-c6ccc7ccccc7c6)c5)c4)cc32)cc1.
What is the InChIKey of 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene?
The InChIKey is ZUOBDWZRCBGOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32/c1-3-19-41(20-4-1)47(42-21-5-2-6-22-42)45-24-10-9-23-43(45)44-28-27-40(32-46(44)47)38-18-12-16-36(31-38)35-15-11-17-37(30-35)39-26-25-33-13-7-8-14-34(33)29-39/h1-32H.
What are the key properties of 2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene?
2-[3-(3-naphthalen-2-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-2-ylphenyl)phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 154591120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).