(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol

C56H59NO — CID 145348232

IUPAC(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol
SMILESC=C/C=C(\C=C/C)C(=C)/C=C(C)\N=C(C)\C(/C=C\C)=C\C=C.Cc1ccccc1-c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C)c(CO)c1C
InChIInChI=1S/C35H32O.C21H27N/c1-25-14-10-12-20-30(25)31-22-23-34(32(24-36)27(31)3)35(28-16-6-4-7-17-28,29-18-8-5-9-19-29)33-21-13-11-15-26(33)2;1-8-12-20(13-9-2)17(5)16-18(6)22-19(7)21(14-10-3)15-11-4/h4-23,36H,24H2,1-3H3;8-16H,1,3,5H2,2,4,6-7H3/b;13-9-,15-11-,18-16-,20-12+,21-14+,22-19+
InChIKeyAWDJGWSRBZESME-FHVGSYLVSA-N
MW762.09 g/mol
LogP14.44
Rot. Bonds14

About (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol

(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol (PubChem CID 145348232) has the molecular formula C56H59NO and a molecular weight of 762.09 g/mol. Its IUPAC name is (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol.

Molecular Properties

Compound Name(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol
PubChem CID145348232
Molecular FormulaC56H59NO
Molecular Weight762.09 g/mol
Exact Mass761.46
IUPAC Name(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol
SMILESC=C/C=C(\C=C/C)C(=C)/C=C(C)\N=C(C)\C(/C=C\C)=C\C=C.Cc1ccccc1-c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C)c(CO)c1C
InChIInChI=1S/C35H32O.C21H27N/c1-25-14-10-12-20-30(25)31-22-23-34(32(24-36)27(31)3)35(28-16-6-4-7-17-28,29-18-8-5-9-19-29)33-21-13-11-15-26(33)2;1-8-12-20(13-9-2)17(5)16-18(6)22-19(7)21(14-10-3)15-11-4/h4-23,36H,24H2,1-3H3;8-16H,1,3,5H2,2,4,6-7H3/b;13-9-,15-11-,18-16-,20-12+,21-14+,22-19+
InChIKeyAWDJGWSRBZESME-FHVGSYLVSA-N
XLogP14.44
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.09
LogP ≤ 514.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol?
The IUPAC name of (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol (CID 145348232) is (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol.
What is the SMILES notation for (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol?
The canonical SMILES for (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol is C=C/C=C(\C=C/C)C(=C)/C=C(C)\N=C(C)\C(/C=C\C)=C\C=C.Cc1ccccc1-c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2C)c(CO)c1C.
What is the InChIKey of (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol?
The InChIKey is AWDJGWSRBZESME-FHVGSYLVSA-N. The full InChI is InChI=1S/C35H32O.C21H27N/c1-25-14-10-12-20-30(25)31-22-23-34(32(24-36)27(31)3)35(28-16-6-4-7-17-28,29-18-8-5-9-19-29)33-21-13-11-15-26(33)2;1-8-12-20(13-9-2)17(5)16-18(6)22-19(7)21(14-10-3)15-11-4/h4-23,36H,24H2,1-3H3;8-16H,1,3,5H2,2,4,6-7H3/b;13-9-,15-11-,18-16-,20-12+,21-14+,22-19+.
What are the key properties of (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol?
(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol has a molecular weight of 762.09 g/mol, XLogP of 14.44, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol is sourced from PubChem (CID 145348232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).