1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine

C62H52N4 — CID 20754061

IUPAC1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESCc1cccc(N(c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cccc34)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C62H52N4/c1-45-17-11-25-55(41-45)63(56-26-12-18-46(2)42-56)51-33-37-53(38-34-51)65(49-21-7-5-8-22-49)61-31-15-30-60-59(61)29-16-32-62(60)66(50-23-9-6-10-24-50)54-39-35-52(36-40-54)64(57-27-13-19-47(3)43-57)58-28-14-20-48(4)44-58/h5-44H,1-4H3
InChIKeyDXPUZNMYLBDUPD-UHFFFAOYSA-N
MW853.13 g/mol
LogP17.95
Rot. Bonds12

About 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine

1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine (PubChem CID 20754061) has the molecular formula C62H52N4 and a molecular weight of 853.13 g/mol. Its IUPAC name is 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine.

Molecular Properties

Compound Name1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
PubChem CID20754061
Molecular FormulaC62H52N4
Molecular Weight853.13 g/mol
Exact Mass852.42
IUPAC Name1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESCc1cccc(N(c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cccc34)cc2)c2cccc(C)c2)c1
InChIInChI=1S/C62H52N4/c1-45-17-11-25-55(41-45)63(56-26-12-18-46(2)42-56)51-33-37-53(38-34-51)65(49-21-7-5-8-22-49)61-31-15-30-60-59(61)29-16-32-62(60)66(50-23-9-6-10-24-50)54-39-35-52(36-40-54)64(57-27-13-19-47(3)43-57)58-28-14-20-48(4)44-58/h5-44H,1-4H3
InChIKeyDXPUZNMYLBDUPD-UHFFFAOYSA-N
XLogP17.95
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.13
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 158590649
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
4-N-[4-(4-aminophenyl)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)naphthalen-1-yl]-1-N-phenylnaphthalene-1,4-diamine
CID 175485337
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-(4-fluorophenyl)-N-(3-methylphenyl)naphthalen-1-amine
CID 15808211
N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
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

Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The IUPAC name of 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine (CID 20754061) is 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine.
What is the SMILES notation for 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The canonical SMILES for 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine is Cc1cccc(N(c2ccc(N(c3ccccc3)c3cccc4c(N(c5ccccc5)c5ccc(N(c6cccc(C)c6)c6cccc(C)c6)cc5)cccc34)cc2)c2cccc(C)c2)c1.
What is the InChIKey of 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The InChIKey is DXPUZNMYLBDUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N4/c1-45-17-11-25-55(41-45)63(56-26-12-18-46(2)42-56)51-33-37-53(38-34-51)65(49-21-7-5-8-22-49)61-31-15-30-60-59(61)29-16-32-62(60)66(50-23-9-6-10-24-50)54-39-35-52(36-40-54)64(57-27-13-19-47(3)43-57)58-28-14-20-48(4)44-58/h5-44H,1-4H3.
What are the key properties of 1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine?
1-N,5-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine has a molecular weight of 853.13 g/mol, XLogP of 17.95, 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-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,5-N-diphenylnaphthalene-1,5-diamine is sourced from PubChem (CID 20754061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).