N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline

C55H45N — CID 129130507

IUPACN-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC/C=C\C=C(/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H45N/c1-3-4-8-15-41(2)42-30-34-51(35-31-42)56(52-36-32-48(33-37-52)44-18-11-6-12-19-44)53-38-39-54(55(40-53)49-20-13-7-14-21-49)50-28-26-47(27-29-50)46-24-22-45(23-25-46)43-16-9-5-10-17-43/h4-40H,3H2,1-2H3/b8-4-,41-15+
InChIKeyRBCFAMHTPKJYSU-JARGZXQKSA-N
MW719.97 g/mol
LogP15.86
Rot. Bonds11

About N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline

N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 129130507) has the molecular formula C55H45N and a molecular weight of 719.97 g/mol. Its IUPAC name is N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID129130507
Molecular FormulaC55H45N
Molecular Weight719.97 g/mol
Exact Mass719.36
IUPAC NameN-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline
SMILESCC/C=C\C=C(/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C55H45N/c1-3-4-8-15-41(2)42-30-34-51(35-31-42)56(52-36-32-48(33-37-52)44-18-11-6-12-19-44)53-38-39-54(55(40-53)49-20-13-7-14-21-49)50-28-26-47(27-29-50)46-24-22-45(23-25-46)43-16-9-5-10-17-43/h4-40H,3H2,1-2H3/b8-4-,41-15+
InChIKeyRBCFAMHTPKJYSU-JARGZXQKSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.97
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N,N,3-tris(4-phenylphenyl)aniline
CID 121477646
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
N,N-bis(4-bromophenyl)-3-phenyl-4-(4-phenylphenyl)aniline
CID 153293994
1-N,2-N-bis(3,4-diphenylphenyl)-1-N,2-N-bis(4-phenylphenyl)benzene-1,2-diamine
CID 155010301
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-phenyl-3-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003706
N-[4-[(2E,4E)-5-(N-methylanilino)hexa-2,4-dien-2-yl]phenyl]-N,4-diphenylaniline
CID 143684827
N-[4-(4-ethyl-2-phenylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665820
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(3,4-diphenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-3-amine
CID 177080967
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline (CID 129130507) is N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline is CC/C=C\C=C(/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is RBCFAMHTPKJYSU-JARGZXQKSA-N. The full InChI is InChI=1S/C55H45N/c1-3-4-8-15-41(2)42-30-34-51(35-31-42)56(52-36-32-48(33-37-52)44-18-11-6-12-19-44)53-38-39-54(55(40-53)49-20-13-7-14-21-49)50-28-26-47(27-29-50)46-24-22-45(23-25-46)43-16-9-5-10-17-43/h4-40H,3H2,1-2H3/b8-4-,41-15+.
What are the key properties of N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline?
N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 719.97 g/mol, XLogP of 15.86, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2E,4Z)-hepta-2,4-dien-2-yl]phenyl]-3-phenyl-N-(4-phenylphenyl)-4-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 129130507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).