[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

C62H52N2 — CID 143067180

IUPAC[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESC=C(/C=C\C=C/C)c1ccccc1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H38N2.C13H14/c1-50(45-27-17-40(18-28-45)37-11-5-2-6-12-37)46-29-19-43(20-30-46)44-25-35-49(36-26-44)51(47-31-21-41(22-32-47)38-13-7-3-8-14-38)48-33-23-42(24-34-48)39-15-9-4-10-16-39;1-3-4-6-9-12(2)13-10-7-5-8-11-13/h2-36H,1H3;3-11H,2H2,1H3/b;4-3-,9-6-
InChIKeyLYCLEZMYFQCKSZ-LFCPTJCFSA-N
MW825.11 g/mol
LogP17.42
Rot. Bonds12

About [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline

[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 143067180) has the molecular formula C62H52N2 and a molecular weight of 825.11 g/mol. Its IUPAC name is [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID143067180
Molecular FormulaC62H52N2
Molecular Weight825.11 g/mol
Exact Mass824.41
IUPAC Name[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
SMILESC=C(/C=C\C=C/C)c1ccccc1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H38N2.C13H14/c1-50(45-27-17-40(18-28-45)37-11-5-2-6-12-37)46-29-19-43(20-30-46)44-25-35-49(36-26-44)51(47-31-21-41(22-32-47)38-13-7-3-8-14-38)48-33-23-42(24-34-48)39-15-9-4-10-16-39;1-3-4-6-9-12(2)13-10-7-5-8-11-13/h2-36H,1H3;3-11H,2H2,1H3/b;4-3-,9-6-
InChIKeyLYCLEZMYFQCKSZ-LFCPTJCFSA-N
XLogP17.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.11
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline (CID 143067180) is [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is C=C(/C=C\C=C/C)c1ccccc1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is LYCLEZMYFQCKSZ-LFCPTJCFSA-N. The full InChI is InChI=1S/C49H38N2.C13H14/c1-50(45-27-17-40(18-28-45)37-11-5-2-6-12-37)46-29-19-43(20-30-46)44-25-35-49(36-26-44)51(47-31-21-41(22-32-47)38-13-7-3-8-14-38)48-33-23-42(24-34-48)39-15-9-4-10-16-39;1-3-4-6-9-12(2)13-10-7-5-8-11-13/h2-36H,1H3;3-11H,2H2,1H3/b;4-3-,9-6-.
What are the key properties of [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline?
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 825.11 g/mol, XLogP of 17.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 143067180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).