N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline

C62H52N2 — CID 155273837

IUPACN-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
SMILESC1=CCCC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2C2=CC(c3ccccc3N(C3=CC=C(C4=CC=CC5C=CC=CC45)CC3)c3ccccc3)CC=C2)=C1
InChIInChI=1S/C62H52N2/c1-3-24-51(25-4-1)63(53-40-36-47(37-41-53)57-32-16-20-45-18-7-9-28-55(45)57)61-34-13-11-30-59(61)49-22-15-23-50(44-49)60-31-12-14-35-62(60)64(52-26-5-2-6-27-52)54-42-38-48(39-43-54)58-33-17-21-46-19-8-10-29-56(46)58/h1-5,7-21,23-26,28-36,38-40,42-45,49,55H,6,22,27,37,41H2
InChIKeyWWJVLVFZRSZIHV-UHFFFAOYSA-N
MW825.11 g/mol
LogP16.60
Rot. Bonds10

About N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline

N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline (PubChem CID 155273837) has the molecular formula C62H52N2 and a molecular weight of 825.11 g/mol. Its IUPAC name is N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
PubChem CID155273837
Molecular FormulaC62H52N2
Molecular Weight825.11 g/mol
Exact Mass824.41
IUPAC NameN-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
SMILESC1=CCCC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2C2=CC(c3ccccc3N(C3=CC=C(C4=CC=CC5C=CC=CC45)CC3)c3ccccc3)CC=C2)=C1
InChIInChI=1S/C62H52N2/c1-3-24-51(25-4-1)63(53-40-36-47(37-41-53)57-32-16-20-45-18-7-9-28-55(45)57)61-34-13-11-30-59(61)49-22-15-23-50(44-49)60-31-12-14-35-62(60)64(52-26-5-2-6-27-52)54-42-38-48(39-43-54)58-33-17-21-46-19-8-10-29-56(46)58/h1-5,7-21,23-26,28-36,38-40,42-45,49,55H,6,22,27,37,41H2
InChIKeyWWJVLVFZRSZIHV-UHFFFAOYSA-N
XLogP16.60
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.11
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
(5Z,7Z,9Z,11Z)-12-[(1Z,3Z,5Z,7Z)-8-[(1Z,3Z,5Z,7E)-cyclodeca-1,3,5,7-tetraen-1-yl]cyclodeca-1,3,5,7-tetraen-1-yl]-5-naphthalen-1-yl-4a,12a-dihydrobenzo[10]annulene
CID 140656633
ethane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-N-phenylnaphthalen-1-amine
CID 145000918
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
N-(4-phenanthren-3-ylcyclohexa-1,3-dien-1-yl)-9-(2-phenylphenyl)-N-[4-(3,4,5,6-tetrahydrophenanthren-3-yl)phenyl]-9H-fluoren-4-amine
CID 154935711
1-N-(4,4a-dihydronaphthalen-1-yl)-4-N-naphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 155373593
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline
CID 170229465
N-[4-[6-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[2-[3-[2-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-4-[2-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158773609
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
N-cyclohexa-1,3-dien-1-yl-4-[4-(4-methylphenyl)cyclohexa-1,3-dien-1-yl]-N-phenylaniline
CID 134171912
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 144582985

Frequently Asked Questions

What is the IUPAC name of N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline?
The IUPAC name of N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline (CID 155273837) is N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline.
What is the SMILES notation for N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline?
The canonical SMILES for N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline is C1=CCCC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccccc2C2=CC(c3ccccc3N(C3=CC=C(C4=CC=CC5C=CC=CC45)CC3)c3ccccc3)CC=C2)=C1.
What is the InChIKey of N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline?
The InChIKey is WWJVLVFZRSZIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N2/c1-3-24-51(25-4-1)63(53-40-36-47(37-41-53)57-32-16-20-45-18-7-9-28-55(45)57)61-34-13-11-30-59(61)49-22-15-23-50(44-49)60-31-12-14-35-62(60)64(52-26-5-2-6-27-52)54-42-38-48(39-43-54)58-33-17-21-46-19-8-10-29-56(46)58/h1-5,7-21,23-26,28-36,38-40,42-45,49,55H,6,22,27,37,41H2.
What are the key properties of N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline?
N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline has a molecular weight of 825.11 g/mol, XLogP of 16.60, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline is sourced from PubChem (CID 155273837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).