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

C40H26N4 — CID 155792486

IUPAC3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)ncc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C40H26N4/c1-3-9-27(10-4-1)29-15-19-31(20-16-29)38-42-39(32-21-17-30(18-22-32)28-11-5-2-6-12-28)44-40(43-38)33-23-24-36-35-14-8-7-13-34(35)26-41-37(36)25-33/h1-26H
InChIKeyFPYJMQJOKFXCEE-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

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

3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine (PubChem CID 155792486) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine.

Molecular Properties

Compound Name3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
PubChem CID155792486
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)ncc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C40H26N4/c1-3-9-27(10-4-1)29-15-19-31(20-16-29)38-42-39(32-21-17-30(18-22-32)28-11-5-2-6-12-28)44-40(43-38)33-23-24-36-35-14-8-7-13-34(35)26-41-37(36)25-33/h1-26H
InChIKeyFPYJMQJOKFXCEE-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
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-phenylquinazolin-2-yl)phenanthridine
CID 155792537
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
CID 155792621
3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
3-(4-iodophenyl)phenanthridine
CID 144968877
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
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]isoquinoline;3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine;2-[3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]naphtho[1,2-h]quinoline
CID 160832506
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine?
The IUPAC name of 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine (CID 155792486) is 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine.
What is the SMILES notation for 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine?
The canonical SMILES for 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)ncc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine?
The InChIKey is FPYJMQJOKFXCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-3-9-27(10-4-1)29-15-19-31(20-16-29)38-42-39(32-21-17-30(18-22-32)28-11-5-2-6-12-28)44-40(43-38)33-23-24-36-35-14-8-7-13-34(35)26-41-37(36)25-33/h1-26H.
What are the key properties of 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine?
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine is sourced from PubChem (CID 155792486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).