N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

C68H58N2 — CID 166978744

IUPACN-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESC1=CCCC(Cc2cccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7C=CC=CC7)cc6)c6cccc(Cc7ccccc7)c6)cc5)cc4)cc3)c2)=C1
InChIInChI=1S/C68H58N2/c1-5-15-51(16-6-1)47-53-19-13-25-67(49-53)69(63-39-31-59(32-40-63)55-21-9-3-10-22-55)65-43-35-61(36-44-65)57-27-29-58(30-28-57)62-37-45-66(46-38-62)70(64-41-33-60(34-42-64)56-23-11-4-12-24-56)68-26-14-20-54(50-68)48-52-17-7-2-8-18-52/h1-7,9-17,19-21,23-33,35-41,43-46,49-50,55H,8,18,22,34,42,47-48H2
InChIKeyZNFOHVYVNZGGMA-UHFFFAOYSA-N
MW903.23 g/mol
LogP18.40
Rot. Bonds14

About N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 166978744) has the molecular formula C68H58N2 and a molecular weight of 903.23 g/mol. Its IUPAC name is N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID166978744
Molecular FormulaC68H58N2
Molecular Weight903.23 g/mol
Exact Mass902.46
IUPAC NameN-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESC1=CCCC(Cc2cccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7C=CC=CC7)cc6)c6cccc(Cc7ccccc7)c6)cc5)cc4)cc3)c2)=C1
InChIInChI=1S/C68H58N2/c1-5-15-51(16-6-1)47-53-19-13-25-67(49-53)69(63-39-31-59(32-40-63)55-21-9-3-10-22-55)65-43-35-61(36-44-65)57-27-29-58(30-28-57)62-37-45-66(46-38-62)70(64-41-33-60(34-42-64)56-23-11-4-12-24-56)68-26-14-20-54(50-68)48-52-17-7-2-8-18-52/h1-7,9-17,19-21,23-33,35-41,43-46,49-50,55H,8,18,22,34,42,47-48H2
InChIKeyZNFOHVYVNZGGMA-UHFFFAOYSA-N
XLogP18.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.23
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline with MolForge

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Related Compounds

4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
4-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
CID 143258012
2-N-cyclohexa-1,3-dien-1-yl-8-N-phenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 135189546
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
3-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-phenyl-N-[4-[2-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]aniline
CID 170226725

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (CID 166978744) is N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is C1=CCCC(Cc2cccc(N(C3=CC=C(c4ccccc4)CC3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7C=CC=CC7)cc6)c6cccc(Cc7ccccc7)c6)cc5)cc4)cc3)c2)=C1.
What is the InChIKey of N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is ZNFOHVYVNZGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H58N2/c1-5-15-51(16-6-1)47-53-19-13-25-67(49-53)69(63-39-31-59(32-40-63)55-21-9-3-10-22-55)65-43-35-61(36-44-65)57-27-29-58(30-28-57)62-37-45-66(46-38-62)70(64-41-33-60(34-42-64)56-23-11-4-12-24-56)68-26-14-20-54(50-68)48-52-17-7-2-8-18-52/h1-7,9-17,19-21,23-33,35-41,43-46,49-50,55H,8,18,22,34,42,47-48H2.
What are the key properties of N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 903.23 g/mol, XLogP of 18.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 166978744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).