N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline

C37H30N2 — CID 146386348

IUPACN-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
SMILESC(=C/C=C/c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)\C=C\c1ccccc1
InChIInChI=1S/C37H30N2/c1(7-17-31-18-9-3-10-19-31)2-8-20-32-27-29-36(30-28-32)39(35-25-15-6-16-26-35)38-37(33-21-11-4-12-22-33)34-23-13-5-14-24-34/h1-30H/b2-1+,17-7+,20-8+
InChIKeyCHWNFSGNDDVUSA-CNSLDWNGSA-N
MW502.66 g/mol
LogP9.56
Rot. Bonds9

About N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline

N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline (PubChem CID 146386348) has the molecular formula C37H30N2 and a molecular weight of 502.66 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
PubChem CID146386348
Molecular FormulaC37H30N2
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC NameN-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
SMILESC(=C/C=C/c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)\C=C\c1ccccc1
InChIInChI=1S/C37H30N2/c1(7-17-31-18-9-3-10-19-31)2-8-20-32-27-29-36(30-28-32)39(35-25-15-6-16-26-35)38-37(33-21-11-4-12-22-33)34-23-13-5-14-24-34/h1-30H/b2-1+,17-7+,20-8+
InChIKeyCHWNFSGNDDVUSA-CNSLDWNGSA-N
XLogP9.56
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline?
The IUPAC name of N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline (CID 146386348) is N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline.
What is the SMILES notation for N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline?
The canonical SMILES for N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline is C(=C/C=C/c1ccc(N(N=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)\C=C\c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline?
The InChIKey is CHWNFSGNDDVUSA-CNSLDWNGSA-N. The full InChI is InChI=1S/C37H30N2/c1(7-17-31-18-9-3-10-19-31)2-8-20-32-27-29-36(30-28-32)39(35-25-15-6-16-26-35)38-37(33-21-11-4-12-22-33)34-23-13-5-14-24-34/h1-30H/b2-1+,17-7+,20-8+.
What are the key properties of N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline?
N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline has a molecular weight of 502.66 g/mol, XLogP of 9.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-N-phenyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline is sourced from PubChem (CID 146386348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).