(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline

C55H52N4 — CID 144780245

IUPAC(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline
SMILESC=C/C=C\C=C/C.CN.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1N
InChIInChI=1S/C24H19N.C23H18N2.C7H10.CH5N/c25-24-13-7-6-12-23(24)22-11-5-4-10-21(22)20-16-14-19(15-17-20)18-8-2-1-3-9-18;24-22(21-15-14-18-8-4-5-9-20(18)23(21)25)19-12-10-17(11-13-19)16-6-2-1-3-7-16;1-3-5-7-6-4-2;1-2/h1-17H,25H2;1-15,24H,25H2;3-7H,1H2,2H3;2H2,1H3/b;24-22+;6-4-,7-5-;
InChIKeyNUJBVISUVKCRDS-IVEQNDHOSA-N
MW769.05 g/mol
LogP13.65
Rot. Bonds8

About (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline

(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline (PubChem CID 144780245) has the molecular formula C55H52N4 and a molecular weight of 769.05 g/mol. Its IUPAC name is (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline
PubChem CID144780245
Molecular FormulaC55H52N4
Molecular Weight769.05 g/mol
Exact Mass768.42
IUPAC Name(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline
SMILESC=C/C=C\C=C/C.CN.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1N
InChIInChI=1S/C24H19N.C23H18N2.C7H10.CH5N/c25-24-13-7-6-12-23(24)22-11-5-4-10-21(22)20-16-14-19(15-17-20)18-8-2-1-3-9-18;24-22(21-15-14-18-8-4-5-9-20(18)23(21)25)19-12-10-17(11-13-19)16-6-2-1-3-7-16;1-3-5-7-6-4-2;1-2/h1-17H,25H2;1-15,24H,25H2;3-7H,1H2,2H3;2H2,1H3/b;24-22+;6-4-,7-5-;
InChIKeyNUJBVISUVKCRDS-IVEQNDHOSA-N
XLogP13.65
TPSA101.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.05
LogP ≤ 513.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
CID 144816380
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766
1,1'-biphenyl;ethane;(3Z,5Z)-hepta-1,3,5-triene;(3Z,5Z)-octa-1,3,5,7-tetraene
CID 145276340
2-(2-phenylphenyl)naphthalen-1-amine
CID 141161672
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
ethane;4-phenylbenzenecarboximidamide
CID 91221015
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
3-[2-(4-phenylphenyl)phenyl]benzene-1,2-diamine
CID 175025707
2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline
CID 142622087
2-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 69242330
2-(2,4-diphenylphenyl)aniline
CID 163426287

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline (CID 144780245) is (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline is C=C/C=C\C=C/C.CN.Nc1ccccc1-c1ccccc1-c1ccc(-c2ccccc2)cc1.[H]/N=C(\c1ccc(-c2ccccc2)cc1)c1ccc2ccccc2c1N.
What is the InChIKey of (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline?
The InChIKey is NUJBVISUVKCRDS-IVEQNDHOSA-N. The full InChI is InChI=1S/C24H19N.C23H18N2.C7H10.CH5N/c25-24-13-7-6-12-23(24)22-11-5-4-10-21(22)20-16-14-19(15-17-20)18-8-2-1-3-9-18;24-22(21-15-14-18-8-4-5-9-20(18)23(21)25)19-12-10-17(11-13-19)16-6-2-1-3-7-16;1-3-5-7-6-4-2;1-2/h1-17H,25H2;1-15,24H,25H2;3-7H,1H2,2H3;2H2,1H3/b;24-22+;6-4-,7-5-;.
What are the key properties of (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline?
(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline has a molecular weight of 769.05 g/mol, XLogP of 13.65, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 144780245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).