bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium

C222H280N26+10 — CID 164960945

About bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium

bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium (PubChem CID 164960945) has the molecular formula C222H280N26+10 and a molecular weight of 3312.86 g/mol. Its IUPAC name is bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium.

Molecular Properties

• Compound Name: bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium
• PubChem CID: 164960945
• Molecular Formula: C222H280N26+10
• Molecular Weight: 3312.86 g/mol
• Exact Mass: 3310.27
• IUPAC Name: bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium
• SMILES: C1=CC(=[N+](c2ccccc2)c2ccccc2)C=CC1=[N+](c1ccccc1)c1ccccc1.CC(C)CN(CC(C)C)c1ccc(N(c2ccc(N(CC(C)C)CC(C)C)cc2)c2ccc([N+](=C3C=CC(=[N+](CC(C)C)CC(C)C)C=C3)c3ccc(N(CC(C)C)CC(C)C)cc3)cc2)cc1.CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCC)CCCC)C=C3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.CN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc([N+](=C3C=CC(=[N+](C)C)C=C3)c3ccc(N(C)C)cc3)cc2)cc1.Nc1ccc([N+](=C2C=CC(=[N+](c3ccc(N)cc3)c3ccc(N)cc3)C=C2)c2ccc(N)cc2)cc1
• InChI: InChI=1S/2C62H92N6.C38H44N6.C30H27N6.C30H24N2/c1-45(2)37-63(38-46(3)4)53-17-25-57(26-18-53)67(58-27-19-54(20-28-58)64(39-47(5)6)40-48(7)8)61-33-35-62(36-34-61)68(59-29-21-55(22-30-59)65(41-49(9)10)42-50(11)12)60-31-23-56(24-32-60)66(43-51(13)14)44-52(15)16;1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;1-39(2)29-9-17-33(18-10-29)43(34-19-11-30(12-20-34)40(3)4)37-25-27-38(28-26-37)44(35-21-13-31(14-22-35)41(5)6)36-23-15-32(16-24-36)42(7)8;31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28;1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h17-36,45-52H,37-44H2,1-16H3;25-44H,9-24,45-52H2,1-8H3;9-28H,1-8H3;1-20H,31-32H2,(H3,33,34);1-24H/q3*+2;+1;+2/p+1
• InChIKey: BVFBMHSEQDVSQF-UHFFFAOYSA-O
• XLogP: 52.44
• TPSA: 173.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 72
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3312.86
LogP ≤ 5	52.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium?

The IUPAC name of bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium (CID 164960945) is bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium.

What is the SMILES notation for bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium?

The canonical SMILES for bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium is C1=CC(=[N+](c2ccccc2)c2ccccc2)C=CC1=[N+](c1ccccc1)c1ccccc1.CC(C)CN(CC(C)C)c1ccc(N(c2ccc(N(CC(C)C)CC(C)C)cc2)c2ccc([N+](=C3C=CC(=[N+](CC(C)C)CC(C)C)C=C3)c3ccc(N(CC(C)C)CC(C)C)cc3)cc2)cc1.CCCCN(CCCC)c1ccc(N(c2ccc(N(CCCC)CCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCC)CCCC)C=C3)c3ccc(N(CCCC)CCCC)cc3)cc2)cc1.CN(C)c1ccc(N(c2ccc(N(C)C)cc2)c2ccc([N+](=C3C=CC(=[N+](C)C)C=C3)c3ccc(N(C)C)cc3)cc2)cc1.Nc1ccc([N+](=C2C=CC(=[N+](c3ccc(N)cc3)c3ccc(N)cc3)C=C2)c2ccc(N)cc2)cc1.

What is the InChIKey of bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium?

The InChIKey is BVFBMHSEQDVSQF-UHFFFAOYSA-O. The full InChI is InChI=1S/2C62H92N6.C38H44N6.C30H27N6.C30H24N2/c1-45(2)37-63(38-46(3)4)53-17-25-57(26-18-53)67(58-27-19-54(20-28-58)64(39-47(5)6)40-48(7)8)61-33-35-62(36-34-61)68(59-29-21-55(22-30-59)65(41-49(9)10)42-50(11)12)60-31-23-56(24-32-60)66(43-51(13)14)44-52(15)16;1-9-17-45-63(46-18-10-2)53-25-33-57(34-26-53)67(58-35-27-54(28-36-58)64(47-19-11-3)48-20-12-4)61-41-43-62(44-42-61)68(59-37-29-55(30-38-59)65(49-21-13-5)50-22-14-6)60-39-31-56(32-40-60)66(51-23-15-7)52-24-16-8;1-39(2)29-9-17-33(18-10-29)43(34-19-11-30(12-20-34)40(3)4)37-25-27-38(28-26-37)44(35-21-13-31(14-22-35)41(5)6)36-23-15-32(16-24-36)42(7)8;31-21-1-9-25(10-2-21)35(26-11-3-22(32)4-12-26)29-17-19-30(20-18-29)36(27-13-5-23(33)6-14-27)28-15-7-24(34)8-16-28;1-5-13-25(14-6-1)31(26-15-7-2-8-16-26)29-21-23-30(24-22-29)32(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h17-36,45-52H,37-44H2,1-16H3;25-44H,9-24,45-52H2,1-8H3;9-28H,1-8H3;1-20H,31-32H2,(H3,33,34);1-24H/q3*+2;+1;+2/p+1.

What are the key properties of bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium?

bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium has a molecular weight of 3312.86 g/mol, XLogP of 52.44, 72 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-aminophenyl)-[4-bis(4-aminophenyl)azaniumylidenecyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-[bis(2-methylpropyl)amino]-N-[4-[bis(2-methylpropyl)amino]phenyl]anilino]phenyl]-[4-[bis(2-methylpropyl)amino]phenyl]-[4-[bis(2-methylpropyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;dibutyl-[4-[[4-[4-(dibutylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]-[4-(dibutylamino)phenyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;(4-diphenylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-diphenylazanium is sourced from PubChem (CID 164960945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).