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

C81H68N4O8 — CID 118468824

IUPAC2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccccc5OC)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccccc4OC)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccccc4OC)cc32)c2ccccc2OC)cc1
InChIInChI=1S/C81H68N4O8/c1-86-61-37-25-53(26-38-61)82(73-17-9-13-21-77(73)90-5)57-33-45-65-66-46-34-58(83(54-27-39-62(87-2)40-28-54)74-18-10-14-22-78(74)91-6)50-70(66)81(69(65)49-57)71-51-59(84(55-29-41-63(88-3)42-30-55)75-19-11-15-23-79(75)92-7)35-47-67(71)68-48-36-60(52-72(68)81)85(56-31-43-64(89-4)44-32-56)76-20-12-16-24-80(76)93-8/h9-52H,1-8H3
InChIKeyKSSJBGNOJJETTC-UHFFFAOYSA-N
MW1225.45 g/mol
LogP19.98
Rot. Bonds20

About 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 118468824) has the molecular formula C81H68N4O8 and a molecular weight of 1225.45 g/mol. Its IUPAC name is 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID118468824
Molecular FormulaC81H68N4O8
Molecular Weight1225.45 g/mol
Exact Mass1224.50
IUPAC Name2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccccc5OC)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccccc4OC)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccccc4OC)cc32)c2ccccc2OC)cc1
InChIInChI=1S/C81H68N4O8/c1-86-61-37-25-53(26-38-61)82(73-17-9-13-21-77(73)90-5)57-33-45-65-66-46-34-58(83(54-27-39-62(87-2)40-28-54)74-18-10-14-22-78(74)91-6)50-70(66)81(69(65)49-57)71-51-59(84(55-29-41-63(88-3)42-30-55)75-19-11-15-23-79(75)92-7)35-47-67(71)68-48-36-60(52-72(68)81)85(56-31-43-64(89-4)44-32-56)76-20-12-16-24-80(76)93-8/h9-52H,1-8H3
InChIKeyKSSJBGNOJJETTC-UHFFFAOYSA-N
XLogP19.98
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.45
LogP ≤ 519.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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

(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
N~2~,N~2~,N~2'~,N~2'~,N~7~,N~7~,N~7'~,N~7'~-Octakis(4-methoxyphenyl)-9,9'-spirobi(fluorene)-2,2',7,7'-tetramine
CID 16161850
n2,n2,n7,n7-Tetra(4-methoxyphenyl)-9,9-dimethyl-9h-fluorene-2,7-diamine
CID 58883931
[N,N-di(4-methoxyphenyl) amino]-9,9'-spirobifluorene
CID 129738186
N2,N2,N2',N2',N7,N7,N7',N7'-octakis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,2',7,7'-tetramine
CID 132604177
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
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenylfluorene-2,7-diamine
CID 23593178
7-N,9,9-trimethyl-2-N-[4-(4-methylphenoxy)phenyl]-2-N-phenyl-7-N-[4-(trifluoromethyl)phenyl]fluorene-2,7-diamine
CID 23593262
4-(9,9-diphenylfluoren-2-yl)-2,3,5,6-tetrafluoro-N,N-bis(4-methoxyphenyl)aniline
CID 58905943
N-(4-fluorophenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-fluorophenyl)-4-methoxyanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 59246157
10-(2,7,7'-Trifluorospiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phenoxazine
CID 66807472
10-(7'-Fluoro-9,9'-spirobi[fluorene]-2'-yl)phenoxazine
CID 68014494

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 118468824) is 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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(2-methoxyphenyl)-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(2-methoxyphenyl)-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)C2(c4cc(N(c5ccc(OC)cc5)c5ccccc5OC)ccc4-3)c3cc(N(c4ccc(OC)cc4)c4ccccc4OC)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccccc4OC)cc32)c2ccccc2OC)cc1.
What is the InChIKey of 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is KSSJBGNOJJETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N4O8/c1-86-61-37-25-53(26-38-61)82(73-17-9-13-21-77(73)90-5)57-33-45-65-66-46-34-58(83(54-27-39-62(87-2)40-28-54)74-18-10-14-22-78(74)91-6)50-70(66)81(69(65)49-57)71-51-59(84(55-29-41-63(88-3)42-30-55)75-19-11-15-23-79(75)92-7)35-47-67(71)68-48-36-60(52-72(68)81)85(56-31-43-64(89-4)44-32-56)76-20-12-16-24-80(76)93-8/h9-52H,1-8H3.
What are the key properties of 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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(2-methoxyphenyl)-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 1225.45 g/mol, XLogP of 19.98, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-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 118468824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).