(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine

C46H38N4 — CID 139041176

IUPAC(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine
SMILESc1ccc(C(=N/N=C(\C2=C(/C(=N\N=C(c3ccccc3)c3ccccc3)c3ccccc3)CCCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H38N4/c1-7-21-35(22-8-1)43(36-23-9-2-10-24-36)47-49-45(39-29-15-5-16-30-39)41-33-19-20-34-42(41)46(40-31-17-6-18-32-40)50-48-44(37-25-11-3-12-26-37)38-27-13-4-14-28-38/h1-18,21-32H,19-20,33-34H2/b49-45-,50-46-
InChIKeyRMZYLTVSBLGFFP-FXVBOROLSA-N
MW646.84 g/mol
LogP10.74
Rot. Bonds10

About (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine

(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine (PubChem CID 139041176) has the molecular formula C46H38N4 and a molecular weight of 646.84 g/mol. Its IUPAC name is (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine.

Molecular Properties

Compound Name(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine
PubChem CID139041176
Molecular FormulaC46H38N4
Molecular Weight646.84 g/mol
Exact Mass646.31
IUPAC Name(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine
SMILESc1ccc(C(=N/N=C(\C2=C(/C(=N\N=C(c3ccccc3)c3ccccc3)c3ccccc3)CCCC2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H38N4/c1-7-21-35(22-8-1)43(36-23-9-2-10-24-36)47-49-45(39-29-15-5-16-30-39)41-33-19-20-34-42(41)46(40-31-17-6-18-32-40)50-48-44(37-25-11-3-12-26-37)38-27-13-4-14-28-38/h1-18,21-32H,19-20,33-34H2/b49-45-,50-46-
InChIKeyRMZYLTVSBLGFFP-FXVBOROLSA-N
XLogP10.74
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.84
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Benzophenone azine
CID 101221
3,5,7-Triphenyl-4H-1,2-diazepine
CID 613116
Benzaldehyde, azine with benzophenone
CID 9604051
(1Z,3E,7E)-2,3,8,9-Tetraphenyl-1,4,7,10-tetraazacyclododeca-1,3,7,9-tetraene
CID 13164082
(Z,4R)-4-(3,4-dimethylphenyl)-N-[(E)-[(4R)-4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
CID 5771608
(Z)-4-(3,4-dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine
CID 54609936
2,2'-(Cyclohexa-2,5-diene-1,4-diylidene)bis(4,5-diphenyl-2H-imidazole)
CID 341010
N,N'-bis(diphenylmethylidene)ethane-1,2-diamine
CID 292257
Diazotetraphenylcyclopentadiene
CID 3407865
Benzophenone, azine with cinnamaldehyde
CID 9650924
3,4,7,8-Tetraphenyl-1,2,5,6-tetrazocine
CID 49766999
1,4-Bis-(4,5-diphenylimidazol-2-ylidene)-2,3,5,6-tetrafluorocyclohexa-2,5-diene
CID 101367858

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine?
The IUPAC name of (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine (CID 139041176) is (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine.
What is the SMILES notation for (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine?
The canonical SMILES for (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine is c1ccc(C(=N/N=C(\C2=C(/C(=N\N=C(c3ccccc3)c3ccccc3)c3ccccc3)CCCC2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine?
The InChIKey is RMZYLTVSBLGFFP-FXVBOROLSA-N. The full InChI is InChI=1S/C46H38N4/c1-7-21-35(22-8-1)43(36-23-9-2-10-24-36)47-49-45(39-29-15-5-16-30-39)41-33-19-20-34-42(41)46(40-31-17-6-18-32-40)50-48-44(37-25-11-3-12-26-37)38-27-13-4-14-28-38/h1-18,21-32H,19-20,33-34H2/b49-45-,50-46-.
What are the key properties of (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine?
(Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine has a molecular weight of 646.84 g/mol, XLogP of 10.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzhydrylideneamino)-1-[2-[(Z)-N-(benzhydrylideneamino)-C-phenylcarbonimidoyl]cyclohexen-1-yl]-1-phenylmethanimine is sourced from PubChem (CID 139041176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).