1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine

C64H52N6 — CID 143543464

IUPAC1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
SMILESC=CCN(C1=CCC(N(c2ccccc2)c2ccccc2)C=C1)c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(N(C)c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C64H52N6/c1-3-46-68(53-40-44-56(45-41-53)69(54-22-9-5-10-23-54)55-24-11-6-12-25-55)52-34-30-48(31-35-52)63-64(66-61-28-16-15-27-60(61)65-63)49-32-36-57(37-33-49)70(62-29-17-19-47-18-13-14-26-59(47)62)58-42-38-51(39-43-58)67(2)50-20-7-4-8-21-50/h3-44,56H,1,45-46H2,2H3
InChIKeyFUEDVZHDWMFZRJ-UHFFFAOYSA-N
MW905.16 g/mol
LogP16.40
Rot. Bonds14

About 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine

1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine (PubChem CID 143543464) has the molecular formula C64H52N6 and a molecular weight of 905.16 g/mol. Its IUPAC name is 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
PubChem CID143543464
Molecular FormulaC64H52N6
Molecular Weight905.16 g/mol
Exact Mass904.43
IUPAC Name1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine
SMILESC=CCN(C1=CCC(N(c2ccccc2)c2ccccc2)C=C1)c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(N(C)c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C64H52N6/c1-3-46-68(53-40-44-56(45-41-53)69(54-22-9-5-10-23-54)55-24-11-6-12-25-55)52-34-30-48(31-35-52)63-64(66-61-28-16-15-27-60(61)65-63)49-32-36-57(37-33-49)70(62-29-17-19-47-18-13-14-26-59(47)62)58-42-38-51(39-43-58)67(2)50-20-7-4-8-21-50/h3-44,56H,1,45-46H2,2H3
InChIKeyFUEDVZHDWMFZRJ-UHFFFAOYSA-N
XLogP16.40
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.16
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-methyl-1-N-naphthalen-1-yl-4-N-phenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431568
N-[4-[4-(N-naphthalen-1-ylanilino)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 123939537
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-[methyl(naphthalen-1-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;prop-1-ene
CID 143268905
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine (CID 143543464) is 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine is C=CCN(C1=CCC(N(c2ccccc2)c2ccccc2)C=C1)c1ccc(-c2nc3ccccc3nc2-c2ccc(N(c3ccc(N(C)c4ccccc4)cc3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine?
The InChIKey is FUEDVZHDWMFZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N6/c1-3-46-68(53-40-44-56(45-41-53)69(54-22-9-5-10-23-54)55-24-11-6-12-25-55)52-34-30-48(31-35-52)63-64(66-61-28-16-15-27-60(61)65-63)49-32-36-57(37-33-49)70(62-29-17-19-47-18-13-14-26-59(47)62)58-42-38-51(39-43-58)67(2)50-20-7-4-8-21-50/h3-44,56H,1,45-46H2,2H3.
What are the key properties of 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine?
1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine has a molecular weight of 905.16 g/mol, XLogP of 16.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-naphthalen-1-yl-1-N-phenyl-4-N-[4-[3-[4-[[4-(N-phenylanilino)cyclohexa-1,5-dien-1-yl]-prop-2-enylamino]phenyl]quinoxalin-2-yl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 143543464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).