1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine

C68H56N4 — CID 167227071

IUPAC1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine
SMILESCC1(N(c2ccccc2)c2ccc3ccccc3c2)C=CC(N(C2=CCC(C)(N(c3ccccc3)c3ccc4ccccc4c3)C=C2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)=CC1
InChIInChI=1S/C68H56N4/c1-67(71(62-26-8-4-9-27-62)65-34-31-52-19-13-16-22-55(52)49-65)44-40-60(41-45-67)69(58-36-38-59(39-37-58)70(57-24-6-3-7-25-57)64-33-30-51-18-12-15-21-54(51)48-64)61-42-46-68(2,47-43-61)72(63-28-10-5-11-29-63)66-35-32-53-20-14-17-23-56(53)50-66/h3-44,46,48-50H,45,47H2,1-2H3
InChIKeyMNUKCADPVLRARH-UHFFFAOYSA-N
MW929.22 g/mol
LogP18.30
Rot. Bonds12

About 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine

1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine (PubChem CID 167227071) has the molecular formula C68H56N4 and a molecular weight of 929.22 g/mol. Its IUPAC name is 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine
PubChem CID167227071
Molecular FormulaC68H56N4
Molecular Weight929.22 g/mol
Exact Mass928.45
IUPAC Name1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine
SMILESCC1(N(c2ccccc2)c2ccc3ccccc3c2)C=CC(N(C2=CCC(C)(N(c3ccccc3)c3ccc4ccccc4c3)C=C2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)=CC1
InChIInChI=1S/C68H56N4/c1-67(71(62-26-8-4-9-27-62)65-34-31-52-19-13-16-22-55(52)49-65)44-40-60(41-45-67)69(58-36-38-59(39-37-58)70(57-24-6-3-7-25-57)64-33-30-51-18-12-15-21-54(51)48-64)61-42-46-68(2,47-43-61)72(63-28-10-5-11-29-63)66-35-32-53-20-14-17-23-56(53)50-66/h3-44,46,48-50H,45,47H2,1-2H3
InChIKeyMNUKCADPVLRARH-UHFFFAOYSA-N
XLogP18.30
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.22
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-3-[4-[4-[4-[4-[(E)-2-carboxy-2-cyanoethenyl]-N-(3-methylphenyl)anilino]-N-[4-[4-[(Z)-2-carboxy-2-cyanoethenyl]-N-(3-methylphenyl)anilino]-4-methylcyclohexa-1,5-dien-1-yl]anilino]-N-(3-methylphenyl)anilino]phenyl]-2-cyanoprop-2-enoic acid
CID 163947323
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
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(4-ethylphenyl)-N-phenylnaphthalen-2-amine
CID 15445670
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
1-N-[4-[(3-methylcyclohexa-1,5-dien-1-yl)-naphthalen-2-ylamino]phenyl]-4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 166657814
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
9-methyl-9-[9-methyl-2-(N-naphthalen-2-ylanilino)fluoren-9-yl]-N-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 134432391
1-N-(4-tert-butyl-4-methylcyclohexa-1,5-dien-1-yl)-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 139302938

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine (CID 167227071) is 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine is CC1(N(c2ccccc2)c2ccc3ccccc3c2)C=CC(N(C2=CCC(C)(N(c3ccccc3)c3ccc4ccccc4c3)C=C2)c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)=CC1.
What is the InChIKey of 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine?
The InChIKey is MNUKCADPVLRARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N4/c1-67(71(62-26-8-4-9-27-62)65-34-31-52-19-13-16-22-55(52)49-65)44-40-60(41-45-67)69(58-36-38-59(39-37-58)70(57-24-6-3-7-25-57)64-33-30-51-18-12-15-21-54(51)48-64)61-42-46-68(2,47-43-61)72(63-28-10-5-11-29-63)66-35-32-53-20-14-17-23-56(53)50-66/h3-44,46,48-50H,45,47H2,1-2H3.
What are the key properties of 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine?
1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine has a molecular weight of 929.22 g/mol, XLogP of 18.30, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis[4-methyl-4-(N-naphthalen-2-ylanilino)cyclohexa-1,5-dien-1-yl]-4-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 167227071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).