4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C63H51N — CID 144639856

IUPAC4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC=C(C1=C(c2cc(-c3ccccc3)ccc2C)C=CC(c2cccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2)C1)c1ccccc1
InChIInChI=1S/C63H51N/c1-45-26-27-56(50-22-13-6-14-23-50)43-62(45)61-41-34-57(44-63(61)46(2)47-16-7-3-8-17-47)55-25-15-24-54(42-55)53-32-39-60(40-33-53)64(58-35-28-51(29-36-58)48-18-9-4-10-19-48)59-37-30-52(31-38-59)49-20-11-5-12-21-49/h3-4,6-11,13-43,57H,2,5,12,44H2,1H3
InChIKeyDEPSLDNLEGZZPA-UHFFFAOYSA-N
MW822.11 g/mol
LogP17.41
Rot. Bonds11

About 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 144639856) has the molecular formula C63H51N and a molecular weight of 822.11 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID144639856
Molecular FormulaC63H51N
Molecular Weight822.11 g/mol
Exact Mass821.40
IUPAC Name4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC=C(C1=C(c2cc(-c3ccccc3)ccc2C)C=CC(c2cccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2)C1)c1ccccc1
InChIInChI=1S/C63H51N/c1-45-26-27-56(50-22-13-6-14-23-50)43-62(45)61-41-34-57(44-63(61)46(2)47-16-7-3-8-17-47)55-25-15-24-54(42-55)53-32-39-60(40-33-53)64(58-35-28-51(29-36-58)48-18-9-4-10-19-48)59-37-30-52(31-38-59)49-20-11-5-12-21-49/h3-4,6-11,13-43,57H,2,5,12,44H2,1H3
InChIKeyDEPSLDNLEGZZPA-UHFFFAOYSA-N
XLogP17.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.11
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 146247654
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
1-N,3-N-bis(4-tert-butylphenyl)-3-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 123682396
3-(7-cyclohexa-1,5-dien-1-yl-9,9-dimethylfluoren-3-yl)-N-[4-[3-methyl-2-(2-methylphenyl)phenyl]phenyl]-N-phenylaniline;propane
CID 156827524
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)anilino)phenyl]phenyl]-N,3-dimethylaniline
CID 143685243
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
1-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-N,2-N-bis(9,9-dimethylfluoren-2-yl)-1-N-(4-phenylphenyl)benzene-1,2-diamine
CID 139322169
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 144639856) is 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is C=C(C1=C(c2cc(-c3ccccc3)ccc2C)C=CC(c2cccc(-c3ccc(N(c4ccc(C5=CCCC=C5)cc4)c4ccc(-c5ccccc5)cc4)cc3)c2)C1)c1ccccc1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is DEPSLDNLEGZZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51N/c1-45-26-27-56(50-22-13-6-14-23-50)43-62(45)61-41-34-57(44-63(61)46(2)47-16-7-3-8-17-47)55-25-15-24-54(42-55)53-32-39-60(40-33-53)64(58-35-28-51(29-36-58)48-18-9-4-10-19-48)59-37-30-52(31-38-59)49-20-11-5-12-21-49/h3-4,6-11,13-43,57H,2,5,12,44H2,1H3.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 822.11 g/mol, XLogP of 17.41, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-N-[4-[3-[4-(2-methyl-5-phenylphenyl)-5-(1-phenylethenyl)cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144639856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).