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

C81H68N4O4 — CID 57337080

IUPAC2-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
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C81H68N4O4/c1-53-9-17-57(18-10-53)82(61-25-37-69(86-5)38-26-61)65-33-45-73-74-46-34-66(83(58-19-11-54(2)12-20-58)62-27-39-70(87-6)40-28-62)50-78(74)81(77(73)49-65)79-51-67(84(59-21-13-55(3)14-22-59)63-29-41-71(88-7)42-30-63)35-47-75(79)76-48-36-68(52-80(76)81)85(60-23-15-56(4)16-24-60)64-31-43-72(89-8)44-32-64/h9-52H,1-8H3
InChIKeyXKVBTCJAZAFUJP-UHFFFAOYSA-N
MW1161.46 g/mol
LogP21.18
Rot. Bonds16

About 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

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 (PubChem CID 57337080) has the molecular formula C81H68N4O4 and a molecular weight of 1161.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID57337080
Molecular FormulaC81H68N4O4
Molecular Weight1161.46 g/mol
Exact Mass1160.52
IUPAC Name2-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
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc32)cc1
InChIInChI=1S/C81H68N4O4/c1-53-9-17-57(18-10-53)82(61-25-37-69(86-5)38-26-61)65-33-45-73-74-46-34-66(83(58-19-11-54(2)12-20-58)62-27-39-70(87-6)40-28-62)50-78(74)81(77(73)49-65)79-51-67(84(59-21-13-55(3)14-22-59)63-29-41-71(88-7)42-30-63)35-47-75(79)76-48-36-68(52-80(76)81)85(60-23-15-56(4)16-24-60)64-31-43-72(89-8)44-32-64/h9-52H,1-8H3
InChIKeyXKVBTCJAZAFUJP-UHFFFAOYSA-N
XLogP21.18
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.46
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
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
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
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
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
2-N,7-N-bis(4-butoxyphenyl)-2-N,7-N,9,9-tetrakis(4-methylphenyl)fluorene-2,7-diamine
CID 161284315
2',7'-dimethoxy-2,7-dimethyl-9,9'-spirobi[fluorene]
CID 170925493
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767
2-N,7-N-bis(9-ethyl-7-methylcarbazol-2-yl)-2-N,7-N-bis(4-methoxyphenyl)spiro[fluorene-9,9'-xanthene]-2,7-diamine
CID 146553281

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4cc(N(c5ccc(C)cc5)c5ccc(OC)cc5)ccc4-3)c3cc(N(c4ccc(C)cc4)c4ccc(OC)cc4)ccc3-c3ccc(N(c4ccc(C)cc4)c4ccc(OC)cc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is XKVBTCJAZAFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H68N4O4/c1-53-9-17-57(18-10-53)82(61-25-37-69(86-5)38-26-61)65-33-45-73-74-46-34-66(83(58-19-11-54(2)12-20-58)62-27-39-70(87-6)40-28-62)50-78(74)81(77(73)49-65)79-51-67(84(59-21-13-55(3)14-22-59)63-29-41-71(88-7)42-30-63)35-47-75(79)76-48-36-68(52-80(76)81)85(60-23-15-56(4)16-24-60)64-31-43-72(89-8)44-32-64/h9-52H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1161.46 g/mol, XLogP of 21.18, 16 rotatable bonds, 0 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(4-methoxyphenyl)-2-N,2-N',7-N,7-N'-tetrakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 57337080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).