2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene

C64H44 — CID 176786196

IUPAC2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(C(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc43)c2)cc1
InChIInChI=1S/C64H44/c1-3-16-44(17-4-1)51-22-13-25-54(42-51)64(53-23-5-2-6-24-53)61-31-12-11-28-58(61)59-41-40-52(43-62(59)64)45-32-36-49(37-33-45)63(60-30-15-21-47-19-8-10-27-57(47)60)50-38-34-48(35-39-50)56-29-14-20-46-18-7-9-26-55(46)56/h1-43,63H
InChIKeyHUBMUZOHBQNTDX-UHFFFAOYSA-N
MW813.06 g/mol
LogP16.54
Rot. Bonds8

About 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene

2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene (PubChem CID 176786196) has the molecular formula C64H44 and a molecular weight of 813.06 g/mol. Its IUPAC name is 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene.

Molecular Properties

Compound Name2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene
PubChem CID176786196
Molecular FormulaC64H44
Molecular Weight813.06 g/mol
Exact Mass812.34
IUPAC Name2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(C(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc43)c2)cc1
InChIInChI=1S/C64H44/c1-3-16-44(17-4-1)51-22-13-25-54(42-51)64(53-23-5-2-6-24-53)61-31-12-11-28-58(61)59-41-40-52(43-62(59)64)45-32-36-49(37-33-45)63(60-30-15-21-47-19-8-10-27-57(47)60)50-38-34-48(35-39-50)56-29-14-20-46-18-7-9-26-55(46)56/h1-43,63H
InChIKeyHUBMUZOHBQNTDX-UHFFFAOYSA-N
XLogP16.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
2-[3-[4-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9-diphenylfluorene
CID 154591147
2-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 159912544
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 168777315
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 168778980
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161164910

Frequently Asked Questions

What is the IUPAC name of 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene?
The IUPAC name of 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene (CID 176786196) is 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene.
What is the SMILES notation for 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene?
The canonical SMILES for 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene is c1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccc(C(c6ccc(-c7cccc8ccccc78)cc6)c6cccc7ccccc67)cc5)cc43)c2)cc1.
What is the InChIKey of 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene?
The InChIKey is HUBMUZOHBQNTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44/c1-3-16-44(17-4-1)51-22-13-25-54(42-51)64(53-23-5-2-6-24-53)61-31-12-11-28-58(61)59-41-40-52(43-62(59)64)45-32-36-49(37-33-45)63(60-30-15-21-47-19-8-10-27-57(47)60)50-38-34-48(35-39-50)56-29-14-20-46-18-7-9-26-55(46)56/h1-43,63H.
What are the key properties of 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene?
2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene has a molecular weight of 813.06 g/mol, XLogP of 16.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[naphthalen-1-yl-(4-naphthalen-1-ylphenyl)methyl]phenyl]-9-phenyl-9-(3-phenylphenyl)fluorene is sourced from PubChem (CID 176786196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).