1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine

C52H38N4 — CID 166796379

IUPAC1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine
SMILESNc1ccc2ccccc2c1/C(=C\Cc1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C52H38N4/c53-48-35-33-41-16-10-11-19-46(41)49(48)47(34-20-36-12-4-1-5-13-36)42-27-21-39(22-28-42)40-25-31-45(32-26-40)52-55-50(43-17-8-3-9-18-43)54-51(56-52)44-29-23-38(24-30-44)37-14-6-2-7-15-37/h1-19,21-35H,20,53H2/b47-34-
InChIKeyPPUMDTFLYCJTOJ-UAAFHFPPSA-N
MW718.90 g/mol
LogP12.62
Rot. Bonds9

About 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine

1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine (PubChem CID 166796379) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine.

Molecular Properties

Compound Name1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine
PubChem CID166796379
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine
SMILESNc1ccc2ccccc2c1/C(=C\Cc1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C52H38N4/c53-48-35-33-41-16-10-11-19-46(41)49(48)47(34-20-36-12-4-1-5-13-36)42-27-21-39(22-28-42)40-25-31-45(32-26-40)52-55-50(43-17-8-3-9-18-43)54-51(56-52)44-29-23-38(24-30-44)37-14-6-2-7-15-37/h1-19,21-35H,20,53H2/b47-34-
InChIKeyPPUMDTFLYCJTOJ-UAAFHFPPSA-N
XLogP12.62
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
hydrazine;8-[3-[3-[(E)-3-phenyl-3-(4-phenylphenyl)prop-2-enyl]phenyl]phenyl]naphtho[2,1-b][1]benzothiole
CID 142294297
4-[4-[(3Z)-4-(2-methylnaphthalen-1-yl)-4-phenylbuta-1,3-dien-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 166796424
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
2,4-diphenyl-6-[4-[3-phenyl-5-[4-(4-prop-2-enylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 139518001
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
(1Z,3E)-3-[2-[4-(aminomethyl)phenyl]naphthalen-1-yl]-1,5-diphenylpenta-1,3-dien-1-amine
CID 142425192
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
2-benzo[g]phenanthren-3-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158860815
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine?
The IUPAC name of 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine (CID 166796379) is 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine.
What is the SMILES notation for 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine?
The canonical SMILES for 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine is Nc1ccc2ccccc2c1/C(=C\Cc1ccccc1)c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine?
The InChIKey is PPUMDTFLYCJTOJ-UAAFHFPPSA-N. The full InChI is InChI=1S/C52H38N4/c53-48-35-33-41-16-10-11-19-46(41)49(48)47(34-20-36-12-4-1-5-13-36)42-27-21-39(22-28-42)40-25-31-45(32-26-40)52-55-50(43-17-8-3-9-18-43)54-51(56-52)44-29-23-38(24-30-44)37-14-6-2-7-15-37/h1-19,21-35H,20,53H2/b47-34-.
What are the key properties of 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine?
1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine has a molecular weight of 718.90 g/mol, XLogP of 12.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-phenyl-1-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]prop-1-enyl]naphthalen-2-amine is sourced from PubChem (CID 166796379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).