1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine

C161H254Br2N14O2+2 — CID 91215886

IUPAC1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)cc3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCC)CCCCCC)C=C3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1
InChIInChI=1S/2C78H124N6.C5H6Br2N2O2/c2*1-9-17-25-33-61-79(62-34-26-18-10-2)69-41-49-73(50-42-69)83(74-51-43-70(44-52-74)80(63-35-27-19-11-3)64-36-28-20-12-4)77-57-59-78(60-58-77)84(75-53-45-71(46-54-75)81(65-37-29-21-13-5)66-38-30-22-14-6)76-55-47-72(48-56-76)82(67-39-31-23-15-7)68-40-32-24-16-8;1-5(2)3(10)8(6)4(11)9(5)7/h2*41-60H,9-40,61-68H2,1-8H3;1-2H3/q;+2;
InChIKeyUGXLYQNNLIEVOB-UHFFFAOYSA-N
MW2577.71 g/mol
LogP49.22
Rot. Bonds98

About 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine (PubChem CID 91215886) has the molecular formula C161H254Br2N14O2+2 and a molecular weight of 2577.71 g/mol. Its IUPAC name is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine.

Molecular Properties

Compound Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine
PubChem CID91215886
Molecular FormulaC161H254Br2N14O2+2
Molecular Weight2577.71 g/mol
Exact Mass2573.86
IUPAC Name1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine
SMILESCC1(C)C(=O)N(Br)C(=O)N1Br.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)cc3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCC)CCCCCC)C=C3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1
InChIInChI=1S/2C78H124N6.C5H6Br2N2O2/c2*1-9-17-25-33-61-79(62-34-26-18-10-2)69-41-49-73(50-42-69)83(74-51-43-70(44-52-74)80(63-35-27-19-11-3)64-36-28-20-12-4)77-57-59-78(60-58-77)84(75-53-45-71(46-54-75)81(65-37-29-21-13-5)66-38-30-22-14-6)76-55-47-72(48-56-76)82(67-39-31-23-15-7)68-40-32-24-16-8;1-5(2)3(10)8(6)4(11)9(5)7/h2*41-60H,9-40,61-68H2,1-8H3;1-2H3/q;+2;
InChIKeyUGXLYQNNLIEVOB-UHFFFAOYSA-N
XLogP49.22
TPSA79.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds98
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002577.71
LogP ≤ 549.22
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': 'hydantoin', 'substructure': 'N/A'}

Analyze 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine with MolForge

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Related Compounds

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bis(4-N-[4-[4-(dioctylamino)-N-[4-(dioctylamino)phenyl]anilino]phenyl]-4-N-[4-(dioctylamino)phenyl]-1-N,1-N-dioctylbenzene-1,4-diamine);fluoroboronic acid
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Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine?
The IUPAC name of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine (CID 91215886) is 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine.
What is the SMILES notation for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine?
The canonical SMILES for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine is CC1(C)C(=O)N(Br)C(=O)N1Br.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc(N(c3ccc(N(CCCCCC)CCCCCC)cc3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1.CCCCCCN(CCCCCC)c1ccc(N(c2ccc(N(CCCCCC)CCCCCC)cc2)c2ccc([N+](=C3C=CC(=[N+](CCCCCC)CCCCCC)C=C3)c3ccc(N(CCCCCC)CCCCCC)cc3)cc2)cc1.
What is the InChIKey of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine?
The InChIKey is UGXLYQNNLIEVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H124N6.C5H6Br2N2O2/c2*1-9-17-25-33-61-79(62-34-26-18-10-2)69-41-49-73(50-42-69)83(74-51-43-70(44-52-74)80(63-35-27-19-11-3)64-36-28-20-12-4)77-57-59-78(60-58-77)84(75-53-45-71(46-54-75)81(65-37-29-21-13-5)66-38-30-22-14-6)76-55-47-72(48-56-76)82(67-39-31-23-15-7)68-40-32-24-16-8;1-5(2)3(10)8(6)4(11)9(5)7/h2*41-60H,9-40,61-68H2,1-8H3;1-2H3/q;+2;.
What are the key properties of 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine?
1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine has a molecular weight of 2577.71 g/mol, XLogP of 49.22, 98 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione;[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-[4-(dihexylamino)phenyl]-(4-dihexylazaniumylidenecyclohexa-2,5-dien-1-ylidene)azanium;4-N-[4-[4-(dihexylamino)-N-[4-(dihexylamino)phenyl]anilino]phenyl]-4-N-[4-(dihexylamino)phenyl]-1-N,1-N-dihexylbenzene-1,4-diamine is sourced from PubChem (CID 91215886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).