[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium

C198H300N18+6 — CID 91339748

IUPAC[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium
SMILESCCCCCCCCN(CCCCCCCC)c1ccc(N(c2ccc(N(CC)CC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C3)c3ccc(N(CC)CC)cc3)cc2)cc1.CCCCCCCCN(CCCCCCCC)c1ccc([N+](=C2C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C2)c2ccc(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1.CCCN(CCC)c1ccc(N(c2ccc(/[N+](=C3/C=CC(=[N+](CCC)CCC)C(CC)=C3)c3ccc(N(CCC)CCC)c(CC)c3)cc2)c2ccc(N(CCC)CCC)c(CC)c2)cc1CC
InChIInChI=1S/C70H108N6.C66H100N6.C62H92N6/c1-9-17-21-25-29-33-57-73(58-34-30-26-22-18-10-2)63-41-49-67(50-42-63)75(65-45-37-61(38-46-65)71(13-5)14-6)69-53-55-70(56-54-69)76(66-47-39-62(40-48-66)72(15-7)16-8)68-51-43-64(44-52-68)74(59-35-31-27-23-19-11-3)60-36-32-28-24-20-12-4;1-9-13-17-21-25-29-53-69(54-30-26-22-18-14-10-2)59-37-45-63(46-38-59)72(64-47-39-60(40-48-64)70(55-31-27-23-19-15-11-3)56-32-28-24-20-16-12-4)66-51-49-65(50-52-66)71(61-41-33-57(34-42-61)67(5)6)62-43-35-58(36-44-62)68(7)8;1-13-37-63(38-14-2)59-33-29-55(45-49(59)21-9)67(56-30-34-60(50(22-10)46-56)64(39-15-3)40-16-4)53-25-27-54(28-26-53)68(57-31-35-61(51(23-11)47-57)65(41-17-5)42-18-6)58-32-36-62(52(24-12)48-58)66(43-19-7)44-20-8/h37-56H,9-36,57-60H2,1-8H3;33-52H,9-32,53-56H2,1-8H3;25-36,45-48H,13-24,37-44H2,1-12H3/q3*+2
InChIKeyPYISBZWRFOKYSC-UHFFFAOYSA-N
MW2932.70 g/mol
LogP54.52
Rot. Bonds104

About [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium

[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium (PubChem CID 91339748) has the molecular formula C198H300N18+6 and a molecular weight of 2932.70 g/mol. Its IUPAC name is [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium.

Molecular Properties

Compound Name[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium
PubChem CID91339748
Molecular FormulaC198H300N18+6
Molecular Weight2932.70 g/mol
Exact Mass2930.40
IUPAC Name[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium
SMILESCCCCCCCCN(CCCCCCCC)c1ccc(N(c2ccc(N(CC)CC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C3)c3ccc(N(CC)CC)cc3)cc2)cc1.CCCCCCCCN(CCCCCCCC)c1ccc([N+](=C2C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C2)c2ccc(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1.CCCN(CCC)c1ccc(N(c2ccc(/[N+](=C3/C=CC(=[N+](CCC)CCC)C(CC)=C3)c3ccc(N(CCC)CCC)c(CC)c3)cc2)c2ccc(N(CCC)CCC)c(CC)c2)cc1CC
InChIInChI=1S/C70H108N6.C66H100N6.C62H92N6/c1-9-17-21-25-29-33-57-73(58-34-30-26-22-18-10-2)63-41-49-67(50-42-63)75(65-45-37-61(38-46-65)71(13-5)14-6)69-53-55-70(56-54-69)76(66-47-39-62(40-48-66)72(15-7)16-8)68-51-43-64(44-52-68)74(59-35-31-27-23-19-11-3)60-36-32-28-24-20-12-4;1-9-13-17-21-25-29-53-69(54-30-26-22-18-14-10-2)59-37-45-63(46-38-59)72(64-47-39-60(40-48-64)70(55-31-27-23-19-15-11-3)56-32-28-24-20-16-12-4)66-51-49-65(50-52-66)71(61-41-33-57(34-42-61)67(5)6)62-43-35-58(36-44-62)68(7)8;1-13-37-63(38-14-2)59-33-29-55(45-49(59)21-9)67(56-30-34-60(50(22-10)46-56)64(39-15-3)40-16-4)53-25-27-54(28-26-53)68(57-31-35-61(51(23-11)47-57)65(41-17-5)42-18-6)58-32-36-62(52(24-12)48-58)66(43-19-7)44-20-8/h37-56H,9-36,57-60H2,1-8H3;33-52H,9-32,53-56H2,1-8H3;25-36,45-48H,13-24,37-44H2,1-12H3/q3*+2
InChIKeyPYISBZWRFOKYSC-UHFFFAOYSA-N
XLogP54.52
TPSA56.94 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds104
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002932.70
LogP ≤ 554.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium?
The IUPAC name of [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium (CID 91339748) is [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium.
What is the SMILES notation for [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium?
The canonical SMILES for [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium is CCCCCCCCN(CCCCCCCC)c1ccc(N(c2ccc(N(CC)CC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C3)c3ccc(N(CC)CC)cc3)cc2)cc1.CCCCCCCCN(CCCCCCCC)c1ccc([N+](=C2C=CC(=[N+](CCCCCCCC)CCCCCCCC)C=C2)c2ccc(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)cc1.CCCN(CCC)c1ccc(N(c2ccc(/[N+](=C3/C=CC(=[N+](CCC)CCC)C(CC)=C3)c3ccc(N(CCC)CCC)c(CC)c3)cc2)c2ccc(N(CCC)CCC)c(CC)c2)cc1CC.
What is the InChIKey of [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium?
The InChIKey is PYISBZWRFOKYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H108N6.C66H100N6.C62H92N6/c1-9-17-21-25-29-33-57-73(58-34-30-26-22-18-10-2)63-41-49-67(50-42-63)75(65-45-37-61(38-46-65)71(13-5)14-6)69-53-55-70(56-54-69)76(66-47-39-62(40-48-66)72(15-7)16-8)68-51-43-64(44-52-68)74(59-35-31-27-23-19-11-3)60-36-32-28-24-20-12-4;1-9-13-17-21-25-29-53-69(54-30-26-22-18-14-10-2)59-37-45-63(46-38-59)72(64-47-39-60(40-48-64)70(55-31-27-23-19-15-11-3)56-32-28-24-20-16-12-4)66-51-49-65(50-52-66)71(61-41-33-57(34-42-61)67(5)6)62-43-35-58(36-44-62)68(7)8;1-13-37-63(38-14-2)59-33-29-55(45-49(59)21-9)67(56-30-34-60(50(22-10)46-56)64(39-15-3)40-16-4)53-25-27-54(28-26-53)68(57-31-35-61(51(23-11)47-57)65(41-17-5)42-18-6)58-32-36-62(52(24-12)48-58)66(43-19-7)44-20-8/h37-56H,9-36,57-60H2,1-8H3;33-52H,9-32,53-56H2,1-8H3;25-36,45-48H,13-24,37-44H2,1-12H3/q3*+2.
What are the key properties of [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium?
[4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium has a molecular weight of 2932.70 g/mol, XLogP of 54.52, 104 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(diethylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-[4-(diethylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]-[4-(dioctylamino)phenyl]-(4-dioctylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;[4-[4-(dipropylamino)-N-[4-(dipropylamino)-3-ethylphenyl]-3-ethylanilino]phenyl]-[4-(dipropylamino)-3-ethylphenyl]-(4-dipropylazaniumylidene-3-ethylcyclohexa-2,5-dien-1-ylidene)azanium is sourced from PubChem (CID 91339748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).