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

C53H44N4O4 — CID 134515822

IUPAC2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccccc1Nc1ccc2c(c1)C1(c3cc(Nc4ccccc4OC)ccc3-2)c2cc(Nc3ccccc3OC)ccc2-c2ccc(Nc3ccccc3OC)cc21
InChIInChI=1S/C53H44N4O4/c1-58-49-17-9-5-13-45(49)54-33-21-25-37-38-26-22-34(55-46-14-6-10-18-50(46)59-2)30-42(38)53(41(37)29-33)43-31-35(56-47-15-7-11-19-51(47)60-3)23-27-39(43)40-28-24-36(32-44(40)53)57-48-16-8-12-20-52(48)61-4/h5-32,54-57H,1-4H3
InChIKeyCFXPAIJQVNELNS-UHFFFAOYSA-N
MW800.96 g/mol
LogP13.04
Rot. Bonds12

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

2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 134515822) has the molecular formula C53H44N4O4 and a molecular weight of 800.96 g/mol. Its IUPAC name is 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID134515822
Molecular FormulaC53H44N4O4
Molecular Weight800.96 g/mol
Exact Mass800.34
IUPAC Name2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCOc1ccccc1Nc1ccc2c(c1)C1(c3cc(Nc4ccccc4OC)ccc3-2)c2cc(Nc3ccccc3OC)ccc2-c2ccc(Nc3ccccc3OC)cc21
InChIInChI=1S/C53H44N4O4/c1-58-49-17-9-5-13-45(49)54-33-21-25-37-38-26-22-34(55-46-14-6-10-18-50(46)59-2)30-42(38)53(41(37)29-33)43-31-35(56-47-15-7-11-19-51(47)60-3)23-27-39(43)40-28-24-36(32-44(40)53)57-48-16-8-12-20-52(48)61-4/h5-32,54-57H,1-4H3
InChIKeyCFXPAIJQVNELNS-UHFFFAOYSA-N
XLogP13.04
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.96
LogP ≤ 513.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-diamine
CID 19024304
2-methoxy-N-phenylaniline
CID 10910514
3-(2-methoxyanilino)phenol
CID 82537348
2-N,7-N-bis(2-anilinophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 71080481
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
5-methoxy-3-N-(2-methoxyphenyl)benzene-1,3-diamine
CID 80722898
1-N-(2-methoxyphenyl)-4-nitrobenzene-1,3-diamine
CID 106751307
2-chloro-4-(2-methoxyanilino)benzenecarbothioamide
CID 55154327
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
N-(2-chlorophenyl)-9,9'-spirobi[fluorene]-3-amine
CID 118343935

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(2-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)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 134515822) is 2-N,2-N',7-N,7-N'-tetrakis(2-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)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is COc1ccccc1Nc1ccc2c(c1)C1(c3cc(Nc4ccccc4OC)ccc3-2)c2cc(Nc3ccccc3OC)ccc2-c2ccc(Nc3ccccc3OC)cc21.
What is the InChIKey of 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is CFXPAIJQVNELNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N4O4/c1-58-49-17-9-5-13-45(49)54-33-21-25-37-38-26-22-34(55-46-14-6-10-18-50(46)59-2)30-42(38)53(41(37)29-33)43-31-35(56-47-15-7-11-19-51(47)60-3)23-27-39(43)40-28-24-36(32-44(40)53)57-48-16-8-12-20-52(48)61-4/h5-32,54-57H,1-4H3.
What are the key properties of 2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N,2-N',7-N,7-N'-tetrakis(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 800.96 g/mol, XLogP of 13.04, 12 rotatable bonds, 4 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(2-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 134515822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).