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

C81H68N4O8 — CID 167156209

IUPAC2-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
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-27-47-77-75(49-61)76-50-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)28-48-78(76)81(77)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)25-45-73(79)74-46-26-64(52-80(74)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
InChIKeyJKPNYHVVAGMKNG-UHFFFAOYSA-N
MW1225.45 g/mol
LogP19.98
Rot. Bonds20

About 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

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 (PubChem CID 167156209) has the molecular formula C81H68N4O8 and a molecular weight of 1225.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167156209
Molecular FormulaC81H68N4O8
Molecular Weight1225.45 g/mol
Exact Mass1224.50
IUPAC Name2-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
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-27-47-77-75(49-61)76-50-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)28-48-78(76)81(77)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)25-45-73(79)74-46-26-64(52-80(74)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3
InChIKeyJKPNYHVVAGMKNG-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',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine with MolForge

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Related Compounds

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
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
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
2-N',7-N'-bis(9-ethylcarbazol-2-yl)-2-N',7-N'-bis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 146553016
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
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,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
7-N-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)-2-N,2-N,2-N',2-N',7-N,7-N',7-N'-heptakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 142336285
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
2-N,7-N-bis(4-methoxyphenyl)-2-N,7-N-di(spiro[fluorene-9,9'-xanthene]-2-yl)-9-sulfanylcarbazole-2,7-diamine
CID 142611571

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)-c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is JKPNYHVVAGMKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-27-47-77-75(49-61)76-50-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)28-48-78(76)81(77)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)25-45-73(79)74-46-26-64(52-80(74)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52H,1-8H3.
What are the key properties of 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?
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 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',3-N,3-N,6-N,6-N,7-N',7-N'-octakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2',3,6,7'-tetramine is sourced from PubChem (CID 167156209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).