2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C113H92N4O4 — CID 134516059

IUPAC2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C113H92N4O4/c1-109(2)97-25-17-13-21-85(97)89-53-37-73(61-101(89)109)114(69-29-45-81(118-9)46-30-69)77-41-57-93-94-58-42-78(115(70-31-47-82(119-10)48-32-70)74-38-54-90-86-22-14-18-26-98(86)110(3,4)102(90)62-74)66-106(94)113(105(93)65-77)107-67-79(116(71-33-49-83(120-11)50-34-71)75-39-55-91-87-23-15-19-27-99(87)111(5,6)103(91)63-75)43-59-95(107)96-60-44-80(68-108(96)113)117(72-35-51-84(121-12)52-36-72)76-40-56-92-88-24-16-20-28-100(88)112(7,8)104(92)64-76/h13-68H,1-12H3
InChIKeyZCNICUPCWXAGKU-UHFFFAOYSA-N
MW1570.00 g/mol
LogP29.17
Rot. Bonds16

About 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 134516059) has the molecular formula C113H92N4O4 and a molecular weight of 1570.00 g/mol. Its IUPAC name is 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID134516059
Molecular FormulaC113H92N4O4
Molecular Weight1570.00 g/mol
Exact Mass1568.71
IUPAC Name2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C113H92N4O4/c1-109(2)97-25-17-13-21-85(97)89-53-37-73(61-101(89)109)114(69-29-45-81(118-9)46-30-69)77-41-57-93-94-58-42-78(115(70-31-47-82(119-10)48-32-70)74-38-54-90-86-22-14-18-26-98(86)110(3,4)102(90)62-74)66-106(94)113(105(93)65-77)107-67-79(116(71-33-49-83(120-11)50-34-71)75-39-55-91-87-23-15-19-27-99(87)111(5,6)103(91)63-75)43-59-95(107)96-60-44-80(68-108(96)113)117(72-35-51-84(121-12)52-36-72)76-40-56-92-88-24-16-20-28-100(88)112(7,8)104(92)64-76/h13-68H,1-12H3
InChIKeyZCNICUPCWXAGKU-UHFFFAOYSA-N
XLogP29.17
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001570.00
LogP ≤ 529.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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Related Compounds

N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 153431611
2-N-(9,9-dimethylfluoren-2-yl)-2-N-[4-(N-(3-methoxyphenyl)anilino)phenyl]-6-N,6-N-diphenylnaphthalene-2,6-diamine
CID 163509487
1-N,1-N-bis[4-(N-(9,9-dimethylfluoren-2-yl)-4-methoxyanilino)phenyl]-4-N-(4-methoxyphenyl)-4-N-(9-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 123541710
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
2-N',2-N',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine
CID 167156209
2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 57337080
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 134516059) is 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is COc1ccc(N(c2ccc3c(c2)C(C)(C)c2ccccc2-3)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc32)cc1.
What is the InChIKey of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is ZCNICUPCWXAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H92N4O4/c1-109(2)97-25-17-13-21-85(97)89-53-37-73(61-101(89)109)114(69-29-45-81(118-9)46-30-69)77-41-57-93-94-58-42-78(115(70-31-47-82(119-10)48-32-70)74-38-54-90-86-22-14-18-26-98(86)110(3,4)102(90)62-74)66-106(94)113(105(93)65-77)107-67-79(116(71-33-49-83(120-11)50-34-71)75-39-55-91-87-23-15-19-27-99(87)111(5,6)103(91)63-75)43-59-95(107)96-60-44-80(68-108(96)113)117(72-35-51-84(121-12)52-36-72)76-40-56-92-88-24-16-20-28-100(88)112(7,8)104(92)64-76/h13-68H,1-12H3.
What are the key properties of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1570.00 g/mol, XLogP of 29.17, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 134516059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).