2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine

C59H32F8N4 — CID 102199116

IUPAC2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(-c5c(F)c(F)nc(F)c5F)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c1F
InChIInChI=1S/C59H32F8N4/c60-51-49(52(61)56(65)68-55(51)64)33-21-25-41-42-26-22-34(50-53(62)57(66)69-58(67)54(50)63)30-46(42)59(45(41)29-33)47-31-39(70(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)59)71(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQVXBQWLAMZSUJH-UHFFFAOYSA-N
MW948.92 g/mol
LogP16.21
Rot. Bonds8

About 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine

2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 102199116) has the molecular formula C59H32F8N4 and a molecular weight of 948.92 g/mol. Its IUPAC name is 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID102199116
Molecular FormulaC59H32F8N4
Molecular Weight948.92 g/mol
Exact Mass948.25
IUPAC Name2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESFc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(-c5c(F)c(F)nc(F)c5F)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c1F
InChIInChI=1S/C59H32F8N4/c60-51-49(52(61)56(65)68-55(51)64)33-21-25-41-42-26-22-34(50-53(62)57(66)69-58(67)54(50)63)30-46(42)59(45(41)29-33)47-31-39(70(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)59)71(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H
InChIKeyQVXBQWLAMZSUJH-UHFFFAOYSA-N
XLogP16.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.92
LogP ≤ 516.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine with MolForge

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Related Compounds

4-(9-(perfluoropyridin-4-yl)-9h-fluoren-9-yl)-N,N-diphenylaniline
CID 168011516
2,3,5,6-Tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
CID 139183203
9-Phenyl-3-[9-(2,3,5,6-tetrafluoro-4-pyridinyl)fluoren-9-yl]carbazole
CID 168339975
N-(3-fluoro-4-methylphenyl)-1-[6-[N-[4-[1-[6-[N-(3-fluoro-4-methylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-2,3,5,6-tetramethylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 20750722
3-[[7-[(2,6-Difluoro-3-pyridinyl)methyl]-9,9-dimethylfluoren-2-yl]methyl]-2,6-difluoropyridine
CID 57832212
3-[[7-[(2,6-Difluoro-3-pyridinyl)methyl]-9,9-diphenylfluoren-2-yl]methyl]-2,6-difluoropyridine
CID 57832218
8-(7,12-Diphenylbenzo[k]fluoranthen-3-yl)-12,14-difluoro-3-methyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 57953165
N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131667
N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]naphthalen-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58131694
4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 58131699
4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 58131708
N-[4-[1-(4-fluorophenyl)-9,9-dimethyl-2,3-diphenylindeno[1,2-f]indol-7-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 58131713

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine (CID 102199116) is 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine is Fc1nc(F)c(F)c(-c2ccc3c(c2)C2(c4cc(-c5c(F)c(F)nc(F)c5F)ccc4-3)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c1F.
What is the InChIKey of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is QVXBQWLAMZSUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H32F8N4/c60-51-49(52(61)56(65)68-55(51)64)33-21-25-41-42-26-22-34(50-53(62)57(66)69-58(67)54(50)63)30-46(42)59(45(41)29-33)47-31-39(70(35-13-5-1-6-14-35)36-15-7-2-8-16-36)23-27-43(47)44-28-24-40(32-48(44)59)71(37-17-9-3-10-18-37)38-19-11-4-12-20-38/h1-32H.
What are the key properties of 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 948.92 g/mol, XLogP of 16.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N',7-N',7-N'-tetraphenyl-2,7-bis(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 102199116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).