[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane

C145H106P8 — CID 58142196

IUPAC[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc(-c3cc(-c4cc(P(c5ccccc5)c5ccccc5)cc(P(c5ccccc5)c5ccccc5)c4)cc(C4(c5cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)cc(P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C145H106P8/c1-17-53-117(54-18-1)146(118-55-19-2-20-56-118)133-95-111(96-134(103-133)147(119-57-21-3-22-58-119)120-59-23-4-24-60-120)107-89-108(112-97-135(148(121-61-25-5-26-62-121)122-63-27-6-28-64-122)104-136(98-112)149(123-65-29-7-30-66-123)124-67-31-8-32-68-124)92-115(91-107)145(143-87-51-49-85-141(143)142-86-50-52-88-144(142)145)116-93-109(113-99-137(150(125-69-33-9-34-70-125)126-71-35-10-36-72-126)105-138(100-113)151(127-73-37-11-38-74-127)128-75-39-12-40-76-128)90-110(94-116)114-101-139(152(129-77-41-13-42-78-129)130-79-43-14-44-80-130)106-140(102-114)153(131-81-45-15-46-82-131)132-83-47-16-48-84-132/h1-106H
InChIKeyXATLUKBLAVNLPJ-UHFFFAOYSA-N
MW2096.23 g/mol
LogP26.78
Rot. Bonds30

About [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane

[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane (PubChem CID 58142196) has the molecular formula C145H106P8 and a molecular weight of 2096.23 g/mol. Its IUPAC name is [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane
PubChem CID58142196
Molecular FormulaC145H106P8
Molecular Weight2096.23 g/mol
Exact Mass2094.62
IUPAC Name[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cc(-c3cc(-c4cc(P(c5ccccc5)c5ccccc5)cc(P(c5ccccc5)c5ccccc5)c4)cc(C4(c5cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)cc(P(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C145H106P8/c1-17-53-117(54-18-1)146(118-55-19-2-20-56-118)133-95-111(96-134(103-133)147(119-57-21-3-22-58-119)120-59-23-4-24-60-120)107-89-108(112-97-135(148(121-61-25-5-26-62-121)122-63-27-6-28-64-122)104-136(98-112)149(123-65-29-7-30-66-123)124-67-31-8-32-68-124)92-115(91-107)145(143-87-51-49-85-141(143)142-86-50-52-88-144(142)145)116-93-109(113-99-137(150(125-69-33-9-34-70-125)126-71-35-10-36-72-126)105-138(100-113)151(127-73-37-11-38-74-127)128-75-39-12-40-76-128)90-110(94-116)114-101-139(152(129-77-41-13-42-78-129)130-79-43-14-44-80-130)106-140(102-114)153(131-81-45-15-46-82-131)132-83-47-16-48-84-132/h1-106H
InChIKeyXATLUKBLAVNLPJ-UHFFFAOYSA-N
XLogP26.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds30
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002096.23
LogP ≤ 526.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane with MolForge

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Related Compounds

phenyl-bis(9,9'-spirobi[fluorene]-2-yl)phosphane
CID 87932191
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886282
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
3-[9-[3,5-bis(3-phenylphenyl)phenyl]fluoren-9-yl]-5-phenylphenol
CID 175617635
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
9,9-bis[3,5-bis[3,5-di(propan-2-yl)phenyl]phenyl]fluorene
CID 58142028
9,9-bis[3,5-bis(3-fluorophenyl)phenyl]fluorene
CID 58142034
4-[3-[9-[3,5-bis(4-cyanophenyl)phenyl]fluoren-9-yl]-5-(4-cyanophenyl)phenyl]benzonitrile
CID 67472777
3-[3-[9-[3,5-bis(3-cyano-5-methylphenyl)phenyl]fluoren-9-yl]-5-(3-cyano-5-methylphenyl)phenyl]-5-methylbenzonitrile
CID 70792678
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenylfluorene;methane
CID 145140147
2-[4-[3-[9-[3,5-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]fluoren-9-yl]-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 143873591

Frequently Asked Questions

What is the IUPAC name of [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane?
The IUPAC name of [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane (CID 58142196) is [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane.
What is the SMILES notation for [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane?
The canonical SMILES for [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2cc(-c3cc(-c4cc(P(c5ccccc5)c5ccccc5)cc(P(c5ccccc5)c5ccccc5)c4)cc(C4(c5cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)cc(-c6cc(P(c7ccccc7)c7ccccc7)cc(P(c7ccccc7)c7ccccc7)c6)c5)c5ccccc5-c5ccccc54)c3)cc(P(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane?
The InChIKey is XATLUKBLAVNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C145H106P8/c1-17-53-117(54-18-1)146(118-55-19-2-20-56-118)133-95-111(96-134(103-133)147(119-57-21-3-22-58-119)120-59-23-4-24-60-120)107-89-108(112-97-135(148(121-61-25-5-26-62-121)122-63-27-6-28-64-122)104-136(98-112)149(123-65-29-7-30-66-123)124-67-31-8-32-68-124)92-115(91-107)145(143-87-51-49-85-141(143)142-86-50-52-88-144(142)145)116-93-109(113-99-137(150(125-69-33-9-34-70-125)126-71-35-10-36-72-126)105-138(100-113)151(127-73-37-11-38-74-127)128-75-39-12-40-76-128)90-110(94-116)114-101-139(152(129-77-41-13-42-78-129)130-79-43-14-44-80-130)106-140(102-114)153(131-81-45-15-46-82-131)132-83-47-16-48-84-132/h1-106H.
What are the key properties of [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane?
[3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane has a molecular weight of 2096.23 g/mol, XLogP of 26.78, 30 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[9-[3,5-bis[3,5-bis(diphenylphosphanyl)phenyl]phenyl]fluoren-9-yl]-5-[3,5-bis(diphenylphosphanyl)phenyl]phenyl]-5-diphenylphosphanylphenyl]-diphenylphosphane is sourced from PubChem (CID 58142196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).