6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol

C72H62N4O10 — CID 145167136

About 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol

6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol (PubChem CID 145167136) has the molecular formula C72H62N4O10 and a molecular weight of 1143.31 g/mol. Its IUPAC name is 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol.

Molecular Properties

• Compound Name: 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol
• PubChem CID: 145167136
• Molecular Formula: C72H62N4O10
• Molecular Weight: 1143.31 g/mol
• Exact Mass: 1142.45
• IUPAC Name: 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol
• SMILES: C/C=C\C(=C/C)N(C1=CCCC=C1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(C7=CCCC=C7)c7ccccc7)cc6)cc5)c5c(O)c(O)c(O)c(O)c5O)cc4)cc3)c3c(O)c(O)c(O)c(O)c3O)cc2)cc1
• InChI: InChI=1S/C72H62N4O10/c1-3-14-51(4-2)73(52-15-8-5-9-16-52)55-33-21-45(22-34-55)47-25-37-57(38-26-47)75(61-63(77)67(81)71(85)68(82)64(61)78)59-41-29-49(30-42-59)50-31-43-60(44-32-50)76(62-65(79)69(83)72(86)70(84)66(62)80)58-39-27-48(28-40-58)46-23-35-56(36-24-46)74(53-17-10-6-11-18-53)54-19-12-7-13-20-54/h3-4,6,8,10-12,14-44,77-86H,5,7,9,13H2,1-2H3/b14-3-,51-4+
• InChIKey: JHPWAAAVUYCVGA-QAIFSKBOSA-N
• XLogP: 17.58
• TPSA: 215.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1143.31
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol?

The IUPAC name of 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol (CID 145167136) is 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol.

What is the SMILES notation for 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol?

The canonical SMILES for 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol is C/C=C\C(=C/C)N(C1=CCCC=C1)c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(C7=CCCC=C7)c7ccccc7)cc6)cc5)c5c(O)c(O)c(O)c(O)c5O)cc4)cc3)c3c(O)c(O)c(O)c(O)c3O)cc2)cc1.

What is the InChIKey of 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol?

The InChIKey is JHPWAAAVUYCVGA-QAIFSKBOSA-N. The full InChI is InChI=1S/C72H62N4O10/c1-3-14-51(4-2)73(52-15-8-5-9-16-52)55-33-21-45(22-34-55)47-25-37-57(38-26-47)75(61-63(77)67(81)71(85)68(82)64(61)78)59-41-29-49(30-42-59)50-31-43-60(44-32-50)76(62-65(79)69(83)72(86)70(84)66(62)80)58-39-27-48(28-40-58)46-23-35-56(36-24-46)74(53-17-10-6-11-18-53)54-19-12-7-13-20-54/h3-4,6,8,10-12,14-44,77-86H,5,7,9,13H2,1-2H3/b14-3-,51-4+.

What are the key properties of 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol?

6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol has a molecular weight of 1143.31 g/mol, XLogP of 17.58, 16 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[4-(N-cyclohexa-1,5-dien-1-ylanilino)phenyl]-N-[4-[4-[4-[4-[cyclohexa-1,5-dien-1-yl-[(2E,4Z)-hexa-2,4-dien-3-yl]amino]phenyl]-N-(2,3,4,5,6-pentahydroxyphenyl)anilino]phenyl]phenyl]anilino]benzene-1,2,3,4,5-pentol is sourced from PubChem (CID 145167136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).