2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine

C76H50N2 — CID 58240106

IUPAC2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESC=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C76H50N2/c1-50(51-38-42-63-61-32-16-20-36-69(61)75(71(63)46-51)67-34-18-14-30-59(67)60-31-15-19-35-68(60)75)52-39-43-64-62-33-17-21-37-70(62)76(72(64)47-52)73-48-57(77(53-22-6-2-7-23-53)54-24-8-3-9-25-54)40-44-65(73)66-45-41-58(49-74(66)76)78(55-26-10-4-11-27-55)56-28-12-5-13-29-56/h2-49H,1H2
InChIKeyXELLVOMMLUGKIP-UHFFFAOYSA-N
MW991.25 g/mol
LogP19.37
Rot. Bonds8

About 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine

2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine (PubChem CID 58240106) has the molecular formula C76H50N2 and a molecular weight of 991.25 g/mol. Its IUPAC name is 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine.

Molecular Properties

Compound Name2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
PubChem CID58240106
Molecular FormulaC76H50N2
Molecular Weight991.25 g/mol
Exact Mass990.40
IUPAC Name2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
SMILESC=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C76H50N2/c1-50(51-38-42-63-61-32-16-20-36-69(61)75(71(63)46-51)67-34-18-14-30-59(67)60-31-15-19-35-68(60)75)52-39-43-64-62-33-17-21-37-70(62)76(72(64)47-52)73-48-57(77(53-22-6-2-7-23-53)54-24-8-3-9-25-54)40-44-65(73)66-45-41-58(49-74(66)76)78(55-26-10-4-11-27-55)56-28-12-5-13-29-56/h2-49H,1H2
InChIKeyXELLVOMMLUGKIP-UHFFFAOYSA-N
XLogP19.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.25
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[10,15-bis(N-phenylanilino)tetraphenylen-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 89495721
N-phenyl-N-(4-phenylphenyl)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'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine;1'-phenyl-9,9'-spirobi[fluorene]
CID 160786762
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
[2',7'-bis(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 129129835
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
N-phenyl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476029

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?
The IUPAC name of 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine (CID 58240106) is 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine.
What is the SMILES notation for 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?
The canonical SMILES for 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine is C=C(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2)c1ccc2c(c1)C1(c3ccccc3-2)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?
The InChIKey is XELLVOMMLUGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N2/c1-50(51-38-42-63-61-32-16-20-36-69(61)75(71(63)46-51)67-34-18-14-30-59(67)60-31-15-19-35-68(60)75)52-39-43-64-62-33-17-21-37-70(62)76(72(64)47-52)73-48-57(77(53-22-6-2-7-23-53)54-24-8-3-9-25-54)40-44-65(73)66-45-41-58(49-74(66)76)78(55-26-10-4-11-27-55)56-28-12-5-13-29-56/h2-49H,1H2.
What are the key properties of 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine?
2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine has a molecular weight of 991.25 g/mol, XLogP of 19.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N',7-N',7-N'-tetraphenyl-2-[1-(9,9'-spirobi[fluorene]-2-yl)ethenyl]-9,9'-spirobi[fluorene]-2',7'-diamine is sourced from PubChem (CID 58240106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).