2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]

C59H38 — CID 154591149

IUPAC2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c2)c1
InChIInChI=1S/C59H38/c1-2-21-49-40(13-1)14-12-25-50(49)41-31-29-39(30-32-41)42-15-9-16-43(35-42)44-17-10-18-45(36-44)46-19-11-20-47(37-46)48-33-34-54-53-24-5-8-28-57(53)59(58(54)38-48)55-26-6-3-22-51(55)52-23-4-7-27-56(52)59/h1-38H
InChIKeyRMWGOEHSFLCUNW-UHFFFAOYSA-N
MW746.95 g/mol
LogP15.52
Rot. Bonds5

About 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]

2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (PubChem CID 154591149) has the molecular formula C59H38 and a molecular weight of 746.95 g/mol. Its IUPAC name is 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
PubChem CID154591149
Molecular FormulaC59H38
Molecular Weight746.95 g/mol
Exact Mass746.30
IUPAC Name2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
SMILESc1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c2)c1
InChIInChI=1S/C59H38/c1-2-21-49-40(13-1)14-12-25-50(49)41-31-29-39(30-32-41)42-15-9-16-43(35-42)44-17-10-18-45(36-44)46-19-11-20-47(37-46)48-33-34-54-53-24-5-8-28-57(53)59(58(54)38-48)55-26-6-3-22-51(55)52-23-4-7-27-56(52)59/h1-38H
InChIKeyRMWGOEHSFLCUNW-UHFFFAOYSA-N
XLogP15.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.95
LogP ≤ 515.52
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-[3-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591181
4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261218
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-naphthalen-1-ylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]
CID 140873354
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] (CID 154591149) is 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] is c1cc(-c2ccc(-c3cccc4ccccc34)cc2)cc(-c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3)c2)c1.
What is the InChIKey of 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
The InChIKey is RMWGOEHSFLCUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38/c1-2-21-49-40(13-1)14-12-25-50(49)41-31-29-39(30-32-41)42-15-9-16-43(35-42)44-17-10-18-45(36-44)46-19-11-20-47(37-46)48-33-34-54-53-24-5-8-28-57(53)59(58(54)38-48)55-26-6-3-22-51(55)52-23-4-7-27-56(52)59/h1-38H.
What are the key properties of 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]?
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] has a molecular weight of 746.95 g/mol, XLogP of 15.52, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 154591149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).