(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine

C48H34N2 — CID 166569028

IUPAC(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3)cc12)c1ccccc1
InChIInChI=1S/C48H34N2/c49-46(38-18-9-3-10-19-38)33-45(36-16-7-2-8-17-36)43-23-13-22-37-26-29-41(30-44(37)43)42-31-47(39-20-11-4-12-21-39)50-48(32-42)40-27-24-35(25-28-40)34-14-5-1-6-15-34/h1-33,49H/b45-33-,49-46-
InChIKeyVCZUNCQSTKHPBQ-MQLOCUGTSA-N
MW638.81 g/mol
LogP12.40
Rot. Bonds8

About (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine

(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine (PubChem CID 166569028) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
PubChem CID166569028
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3)cc12)c1ccccc1
InChIInChI=1S/C48H34N2/c49-46(38-18-9-3-10-19-38)33-45(36-16-7-2-8-17-36)43-23-13-22-37-26-29-41(30-44(37)43)42-31-47(39-20-11-4-12-21-39)50-48(32-42)40-27-24-35(25-28-40)34-14-5-1-6-15-34/h1-33,49H/b45-33-,49-46-
InChIKeyVCZUNCQSTKHPBQ-MQLOCUGTSA-N
XLogP12.40
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[7-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568910
(Z)-3-[7-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568902
(Z)-1,3-diphenyl-3-[7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]prop-2-en-1-imine
CID 166569065
(Z)-3-[7-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-1,3-diphenylprop-2-en-1-imine
CID 166568749
ethane;(Z)-3-[3-[3-(10-methyltriphenylen-2-yl)-5-phenylphenyl]phenyl]-1,3-diphenylprop-2-en-1-imine
CID 144803315
(E)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3-phenyl-3-(4-phenylphenyl)prop-2-en-1-imine
CID 142294158
N-[(Z)-3-imino-1,3-diphenylprop-1-enyl]-3-(9-naphthalen-1-yl-6-phenylcarbazol-3-yl)-6-phenylcarbazol-9-amine
CID 139309354
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2,6-diphenyl-4-[4-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 139518099
2-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 58943606
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632

Frequently Asked Questions

What is the IUPAC name of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The IUPAC name of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine (CID 166569028) is (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine.
What is the SMILES notation for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The canonical SMILES for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine is [H]/N=C(/C=C(/c1ccccc1)c1cccc2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)c3)cc12)c1ccccc1.
What is the InChIKey of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
The InChIKey is VCZUNCQSTKHPBQ-MQLOCUGTSA-N. The full InChI is InChI=1S/C48H34N2/c49-46(38-18-9-3-10-19-38)33-45(36-16-7-2-8-17-36)43-23-13-22-37-26-29-41(30-44(37)43)42-31-47(39-20-11-4-12-21-39)50-48(32-42)40-27-24-35(25-28-40)34-14-5-1-6-15-34/h1-33,49H/b45-33-,49-46-.
What are the key properties of (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine?
(Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine has a molecular weight of 638.81 g/mol, XLogP of 12.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3-diphenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]naphthalen-1-yl]prop-2-en-1-imine is sourced from PubChem (CID 166569028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).