2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine

C81H70N4O8 — CID 89183056

IUPAC2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(C2=CC3C(C=C2)c2ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)c2ccc(OC)cc2)cc1
InChIInChI=1S/C81H70N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52,73,77H,1-8H3
InChIKeyCLSGZTNFENZMHF-UHFFFAOYSA-N
MW1227.47 g/mol
LogP19.49
Rot. Bonds20

About 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine

2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine (PubChem CID 89183056) has the molecular formula C81H70N4O8 and a molecular weight of 1227.47 g/mol. Its IUPAC name is 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine
PubChem CID89183056
Molecular FormulaC81H70N4O8
Molecular Weight1227.47 g/mol
Exact Mass1226.52
IUPAC Name2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccc(N(C2=CC3C(C=C2)c2ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)c2ccc(OC)cc2)cc1
InChIInChI=1S/C81H70N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52,73,77H,1-8H3
InChIKeyCLSGZTNFENZMHF-UHFFFAOYSA-N
XLogP19.49
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001227.47
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-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',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
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
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-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
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
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
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
11-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),3,5,9(17),10,12,14-heptaene-5,11-diamine
CID 168855932
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
CID 88673461

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine (CID 89183056) is 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine is COc1ccc(N(C2=CC3C(C=C2)c2ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc2C32c3cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc32)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine?
The InChIKey is CLSGZTNFENZMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H70N4O8/c1-86-65-29-9-53(10-30-65)82(54-11-31-66(87-2)32-12-54)61-25-45-73-74-46-26-62(83(55-13-33-67(88-3)34-14-55)56-15-35-68(89-4)36-16-56)50-78(74)81(77(73)49-61)79-51-63(84(57-17-37-69(90-5)38-18-57)58-19-39-70(91-6)40-20-58)27-47-75(79)76-48-28-64(52-80(76)81)85(59-21-41-71(92-7)42-22-59)60-23-43-72(93-8)44-24-60/h9-52,73,77H,1-8H3.
What are the key properties of 2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine?
2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine has a molecular weight of 1227.47 g/mol, XLogP of 19.49, 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,2-N',2-N',7-N,7-N,7-N',7-N'-octakis(4-methoxyphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 89183056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).