2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene

C59H40 — CID 154591147

IUPAC2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cccc(-c7cccc(-c8cccc9ccccc89)c7)c6)cc5)c4)cc32)cc1
InChIInChI=1S/C59H40/c1-3-23-51(24-4-1)59(52-25-5-2-6-26-52)57-30-10-9-28-55(57)56-36-35-49(40-58(56)59)47-20-12-18-45(38-47)42-33-31-41(32-34-42)44-17-11-19-46(37-44)48-21-13-22-50(39-48)54-29-14-16-43-15-7-8-27-53(43)54/h1-40H
InChIKeyDPQOVBCYLMVXJB-UHFFFAOYSA-N
MW748.97 g/mol
LogP15.54
Rot. Bonds7

About 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene

2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene (PubChem CID 154591147) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene.

Molecular Properties

Compound Name2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
PubChem CID154591147
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cccc(-c7cccc(-c8cccc9ccccc89)c7)c6)cc5)c4)cc32)cc1
InChIInChI=1S/C59H40/c1-3-23-51(24-4-1)59(52-25-5-2-6-26-52)57-30-10-9-28-55(57)56-36-35-49(40-58(56)59)47-20-12-18-45(38-47)42-33-31-41(32-34-42)44-17-11-19-46(37-44)48-21-13-22-50(39-48)54-29-14-16-43-15-7-8-27-53(43)54/h1-40H
InChIKeyDPQOVBCYLMVXJB-UHFFFAOYSA-N
XLogP15.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
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
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
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
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168776635
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
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
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenyl-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171452406
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene?
The IUPAC name of 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene (CID 154591147) is 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene.
What is the SMILES notation for 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene?
The canonical SMILES for 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4cccc(-c5ccc(-c6cccc(-c7cccc(-c8cccc9ccccc89)c7)c6)cc5)c4)cc32)cc1.
What is the InChIKey of 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene?
The InChIKey is DPQOVBCYLMVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-3-23-51(24-4-1)59(52-25-5-2-6-26-52)57-30-10-9-28-55(57)56-36-35-49(40-58(56)59)47-20-12-18-45(38-47)42-33-31-41(32-34-42)44-17-11-19-46(37-44)48-21-13-22-50(39-48)54-29-14-16-43-15-7-8-27-53(43)54/h1-40H.
What are the key properties of 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene?
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene has a molecular weight of 748.97 g/mol, XLogP of 15.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene is sourced from PubChem (CID 154591147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).