N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline

C91H78N4O6 — CID 123996172

IUPACN-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
SMILESC=CC(=CC=C(C)N(c1ccc(-c2ccc(OC)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(-c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)OC
InChIInChI=1S/C91H78N4O6/c1-9-86(96-3)53-10-64(2)92(76-33-13-71(14-34-76)73-27-54-87(97-4)55-28-73)75-31-11-65(12-32-75)66-15-35-77(36-16-66)93(83-47-58-89(99-6)59-48-83)78-37-17-67(18-38-78)68-19-39-79(40-20-68)94(84-49-60-90(100-7)61-50-84)80-41-21-69(22-42-80)70-23-43-81(44-24-70)95(85-51-62-91(101-8)63-52-85)82-45-25-72(26-46-82)74-29-56-88(98-5)57-30-74/h9-63H,1H2,2-8H3
InChIKeySVNDKWKJBNVNJP-UHFFFAOYSA-N
MW1323.65 g/mol
LogP24.23
Rot. Bonds25

About N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline

N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline (PubChem CID 123996172) has the molecular formula C91H78N4O6 and a molecular weight of 1323.65 g/mol. Its IUPAC name is N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
PubChem CID123996172
Molecular FormulaC91H78N4O6
Molecular Weight1323.65 g/mol
Exact Mass1322.59
IUPAC NameN-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
SMILESC=CC(=CC=C(C)N(c1ccc(-c2ccc(OC)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(-c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)OC
InChIInChI=1S/C91H78N4O6/c1-9-86(96-3)53-10-64(2)92(76-33-13-71(14-34-76)73-27-54-87(97-4)55-28-73)75-31-11-65(12-32-75)66-15-35-77(36-16-66)93(83-47-58-89(99-6)59-48-83)78-37-17-67(18-38-78)68-19-39-79(40-20-68)94(84-49-60-90(100-7)61-50-84)80-41-21-69(22-42-80)70-23-43-81(44-24-70)95(85-51-62-91(101-8)63-52-85)82-45-25-72(26-46-82)74-29-56-88(98-5)57-30-74/h9-63H,1H2,2-8H3
InChIKeySVNDKWKJBNVNJP-UHFFFAOYSA-N
XLogP24.23
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001323.65
LogP ≤ 524.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline with MolForge

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Related Compounds

1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-[4-(2-ethylhexoxy)phenyl]-N-[4-[(2E,4E)-5-[N-[4-(2-ethylhexoxy)phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]hexa-2,4-dien-2-yl]phenyl]-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]aniline
CID 163422247
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite
CID 138718891
4-[4-(4-methoxyanilino)phenyl]-N-(5-methoxyhexa-2,4-dien-2-yl)-N-(4-methoxyphenyl)-2-methylaniline
CID 91379209
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 177034589
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline (CID 123996172) is N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline is C=CC(=CC=C(C)N(c1ccc(-c2ccc(OC)cc2)cc1)c1ccc(-c2ccc(N(c3ccc(OC)cc3)c3ccc(-c4ccc(N(c5ccc(OC)cc5)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(-c8ccc(OC)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1)OC.
What is the InChIKey of N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline?
The InChIKey is SVNDKWKJBNVNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H78N4O6/c1-9-86(96-3)53-10-64(2)92(76-33-13-71(14-34-76)73-27-54-87(97-4)55-28-73)75-31-11-65(12-32-75)66-15-35-77(36-16-66)93(83-47-58-89(99-6)59-48-83)78-37-17-67(18-38-78)68-19-39-79(40-20-68)94(84-49-60-90(100-7)61-50-84)80-41-21-69(22-42-80)70-23-43-81(44-24-70)95(85-51-62-91(101-8)63-52-85)82-45-25-72(26-46-82)74-29-56-88(98-5)57-30-74/h9-63H,1H2,2-8H3.
What are the key properties of N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline?
N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline has a molecular weight of 1323.65 g/mol, XLogP of 24.23, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 123996172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).