3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine

C50H32N4 — CID 155792621

IUPAC3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)ncc6ccccc67)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)49-52-48(35-14-5-2-6-15-35)53-50(54-49)46-29-28-42(43-20-9-10-21-44(43)46)39-18-11-17-37(30-39)38-26-27-45-41-19-8-7-16-40(41)32-51-47(45)31-38/h1-32H
InChIKeyNHUYGJYEKCVSPG-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.73
Rot. Bonds6

About 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine

3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine (PubChem CID 155792621) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine.

Molecular Properties

Compound Name3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
PubChem CID155792621
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)ncc6ccccc67)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C50H32N4/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)49-52-48(35-14-5-2-6-15-35)53-50(54-49)46-29-28-42(43-20-9-10-21-44(43)46)39-18-11-17-37(30-39)38-26-27-45-41-19-8-7-16-40(41)32-51-47(45)31-38/h1-32H
InChIKeyNHUYGJYEKCVSPG-UHFFFAOYSA-N
XLogP12.73
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;7-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 158599286
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 164975629
2-(5-naphthalen-2-ylnaphthalen-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176588131
2-(4-chrysen-2-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(4-chrysen-2-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 157258126
2-(4-phenanthren-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 171732105
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-(4-iodophenyl)phenanthridine
CID 144968877

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine?
The IUPAC name of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine (CID 155792621) is 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine.
What is the SMILES notation for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine?
The canonical SMILES for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccc7c(c6)ncc6ccccc67)c5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine?
The InChIKey is NHUYGJYEKCVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-12-33(13-4-1)34-22-24-36(25-23-34)49-52-48(35-14-5-2-6-15-35)53-50(54-49)46-29-28-42(43-20-9-10-21-44(43)46)39-18-11-17-37(30-39)38-26-27-45-41-19-8-7-16-40(41)32-51-47(45)31-38/h1-32H.
What are the key properties of 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine?
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine has a molecular weight of 688.83 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine is sourced from PubChem (CID 155792621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).