12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline

C44H28N4 — CID 174287405

IUPAC12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6ccc5c5cccnc45)n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-10-29(11-4-1)31-17-21-34(22-18-31)42-46-43(35-23-19-32(20-24-35)30-12-5-2-6-13-30)48-44(47-42)40-28-39-36-15-8-7-14-33(36)25-26-37(39)38-16-9-27-45-41(38)40/h1-28H
InChIKeyUVMSYHRFGOSEDU-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline

12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline (PubChem CID 174287405) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline.

Molecular Properties

Compound Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
PubChem CID174287405
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6ccc5c5cccnc45)n3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-10-29(11-4-1)31-17-21-34(22-18-31)42-46-43(35-23-19-32(20-24-35)30-12-5-2-6-13-30)48-44(47-42)40-28-39-36-15-8-7-14-33(36)25-26-37(39)38-16-9-27-45-41(38)40/h1-28H
InChIKeyUVMSYHRFGOSEDU-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
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

7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
2-(3-chrysen-6-yl-5-phenylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 130355580
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylnaphtho[2,1-f]quinoline
CID 164766226
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
2-[2-(3-chrysen-6-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170248310
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline?
The IUPAC name of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline (CID 174287405) is 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline.
What is the SMILES notation for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline?
The canonical SMILES for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc5c6ccccc6ccc5c5cccnc45)n3)cc2)cc1.
What is the InChIKey of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline?
The InChIKey is UVMSYHRFGOSEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-10-29(11-4-1)31-17-21-34(22-18-31)42-46-43(35-23-19-32(20-24-35)30-12-5-2-6-13-30)48-44(47-42)40-28-39-36-15-8-7-14-33(36)25-26-37(39)38-16-9-27-45-41(38)40/h1-28H.
What are the key properties of 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline?
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,1-f]quinoline is sourced from PubChem (CID 174287405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).