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

C82H72N4O8 — CID 142336285

IUPAC7-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
SMILESCOC1=CC(C)C(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc42)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)C=C1
InChIInChI=1S/C82H72N4O8/c1-53-48-72(94-9)42-47-81(53)86(60-22-40-71(93-8)41-23-60)64-27-46-76-75-45-26-63(85(58-18-36-69(91-6)37-19-58)59-20-38-70(92-7)39-21-59)51-79(75)82(80(76)52-64)77-49-61(83(54-10-28-65(87-2)29-11-54)55-12-30-66(88-3)31-13-55)24-43-73(77)74-44-25-62(50-78(74)82)84(56-14-32-67(89-4)33-15-56)57-16-34-68(90-5)35-17-57/h10-53,81H,1-9H3
InChIKeyXNRATASNAZBKDO-UHFFFAOYSA-N
MW1241.50 g/mol
LogP19.74
Rot. Bonds20

About 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

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 (PubChem CID 142336285) has the molecular formula C82H72N4O8 and a molecular weight of 1241.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID142336285
Molecular FormulaC82H72N4O8
Molecular Weight1241.50 g/mol
Exact Mass1240.54
IUPAC Name7-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
SMILESCOC1=CC(C)C(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc42)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)C=C1
InChIInChI=1S/C82H72N4O8/c1-53-48-72(94-9)42-47-81(53)86(60-22-40-71(93-8)41-23-60)64-27-46-76-75-45-26-63(85(58-18-36-69(91-6)37-19-58)59-20-38-70(92-7)39-21-59)51-79(75)82(80(76)52-64)77-49-61(83(54-10-28-65(87-2)29-11-54)55-12-30-66(88-3)31-13-55)24-43-73(77)74-44-25-62(50-78(74)82)84(56-14-32-67(89-4)33-15-56)57-16-34-68(90-5)35-17-57/h10-53,81H,1-9H3
InChIKeyXNRATASNAZBKDO-UHFFFAOYSA-N
XLogP19.74
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.50
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 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
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
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
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
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
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
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-fluoren-9-ylium-2,7-diamine
CID 101171493
N-(4-methoxyphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-methoxyphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246029

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC1=CC(C)C(N(c2ccc(OC)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)ccc4-c4ccc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc42)c2cc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)ccc2-3)C=C1.
What is the InChIKey of 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?
The InChIKey is XNRATASNAZBKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H72N4O8/c1-53-48-72(94-9)42-47-81(53)86(60-22-40-71(93-8)41-23-60)64-27-46-76-75-45-26-63(85(58-18-36-69(91-6)37-19-58)59-20-38-70(92-7)39-21-59)51-79(75)82(80(76)52-64)77-49-61(83(54-10-28-65(87-2)29-11-54)55-12-30-66(88-3)31-13-55)24-43-73(77)74-44-25-62(50-78(74)82)84(56-14-32-67(89-4)33-15-56)57-16-34-68(90-5)35-17-57/h10-53,81H,1-9H3.
What are the key properties of 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?
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 has a molecular weight of 1241.50 g/mol, XLogP of 19.74, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142336285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).