2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

C67H50N4 — CID 91550926

IUPAC2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1N(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C67H50N4/c1-49-45-63(70(58-27-9-4-10-28-58)66-34-31-52-19-13-16-22-55(52)48-66)43-44-67(49)71(61-39-35-59(36-40-61)68(56-23-5-2-6-24-56)64-32-29-50-17-11-14-20-53(50)46-64)62-41-37-60(38-42-62)69(57-25-7-3-8-26-57)65-33-30-51-18-12-15-21-54(51)47-65/h2-48H,1H3
InChIKeyKKLJQDGLUWOURO-UHFFFAOYSA-N
MW911.17 g/mol
LogP19.33
Rot. Bonds12

About 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine

2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 91550926) has the molecular formula C67H50N4 and a molecular weight of 911.17 g/mol. Its IUPAC name is 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID91550926
Molecular FormulaC67H50N4
Molecular Weight911.17 g/mol
Exact Mass910.40
IUPAC Name2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
SMILESCc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1N(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C67H50N4/c1-49-45-63(70(58-27-9-4-10-28-58)66-34-31-52-19-13-16-22-55(52)48-66)43-44-67(49)71(61-39-35-59(36-40-61)68(56-23-5-2-6-24-56)64-32-29-50-17-11-14-20-53(50)46-64)62-41-37-60(38-42-62)69(57-25-7-3-8-26-57)65-33-30-51-18-12-15-21-54(51)47-65/h2-48H,1H3
InChIKeyKKLJQDGLUWOURO-UHFFFAOYSA-N
XLogP19.33
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.17
LogP ≤ 519.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-1-ylanilino)phenyl]-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 58598982
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
2-N,7-N-bis(2-methyl-4-phenylphenyl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 129062954
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
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
1-N,1-N-didecyl-4-N-[4-[4-(didecylamino)-N-[4-(didecylamino)-3-methylphenyl]-3-methylanilino]phenyl]-4-N-[4-(didecylamino)-3-methylphenyl]-2-methylbenzene-1,4-diamine;2-methyl-1-N,1-N,4-N,4-N-tetrakis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 161180059

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine (CID 91550926) is 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine is Cc1cc(N(c2ccccc2)c2ccc3ccccc3c2)ccc1N(c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is KKLJQDGLUWOURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50N4/c1-49-45-63(70(58-27-9-4-10-28-58)66-34-31-52-19-13-16-22-55(52)48-66)43-44-67(49)71(61-39-35-59(36-40-61)68(56-23-5-2-6-24-56)64-32-29-50-17-11-14-20-53(50)46-64)62-41-37-60(38-42-62)69(57-25-7-3-8-26-57)65-33-30-51-18-12-15-21-54(51)47-65/h2-48H,1H3.
What are the key properties of 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine?
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 911.17 g/mol, XLogP of 19.33, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 91550926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).