1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine

C64H56N4 — CID 20754064

IUPAC1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3cccc4c(N(c5ccc(C)cc5)c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C64H56N4/c1-45-13-25-51(26-14-45)65(52-27-15-46(2)16-28-52)55-37-41-59(42-38-55)67(57-33-21-49(5)22-34-57)63-11-7-10-62-61(63)9-8-12-64(62)68(58-35-23-50(6)24-36-58)60-43-39-56(40-44-60)66(53-29-17-47(3)18-30-53)54-31-19-48(4)20-32-54/h7-44H,1-6H3
InChIKeyAUYLDMGOVXMRGE-UHFFFAOYSA-N
MW881.18 g/mol
LogP18.57
Rot. Bonds12

About 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine

1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine (PubChem CID 20754064) has the molecular formula C64H56N4 and a molecular weight of 881.18 g/mol. Its IUPAC name is 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
PubChem CID20754064
Molecular FormulaC64H56N4
Molecular Weight881.18 g/mol
Exact Mass880.45
IUPAC Name1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3cccc4c(N(c5ccc(C)cc5)c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cccc34)cc2)cc1
InChIInChI=1S/C64H56N4/c1-45-13-25-51(26-14-45)65(52-27-15-46(2)16-28-52)55-37-41-59(42-38-55)67(57-33-21-49(5)22-34-57)63-11-7-10-62-61(63)9-8-12-64(62)68(58-35-23-50(6)24-36-58)60-43-39-56(40-44-60)66(53-29-17-47(3)18-30-53)54-31-19-48(4)20-32-54/h7-44H,1-6H3
InChIKeyAUYLDMGOVXMRGE-UHFFFAOYSA-N
XLogP18.57
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.18
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N,10-N,10-N-tetrakis(4-methylphenyl)perylene-3,10-diamine
CID 20710089
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 154945555
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 20754061
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308
N,N-bis(4-methylphenyl)anthracen-1-amine;N,N-bis(4-methylphenyl)naphthalen-1-amine
CID 91237868
4-methyl-N,N-diphenylaniline;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 159675140
N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine;N-(4-methylphenyl)-N-naphthalen-1-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 158140661
1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N,4-N-dinaphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-methylphenyl)-4-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,4-diamine;1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine
CID 161386948
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine (CID 20754064) is 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3cccc4c(N(c5ccc(C)cc5)c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cccc34)cc2)cc1.
What is the InChIKey of 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine?
The InChIKey is AUYLDMGOVXMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N4/c1-45-13-25-51(26-14-45)65(52-27-15-46(2)16-28-52)55-37-41-59(42-38-55)67(57-33-21-49(5)22-34-57)63-11-7-10-62-61(63)9-8-12-64(62)68(58-35-23-50(6)24-36-58)60-43-39-56(40-44-60)66(53-29-17-47(3)18-30-53)54-31-19-48(4)20-32-54/h7-44H,1-6H3.
What are the key properties of 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine?
1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine has a molecular weight of 881.18 g/mol, XLogP of 18.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,5-N-bis(4-methylphenyl)naphthalene-1,5-diamine is sourced from PubChem (CID 20754064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).