2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

C43H27N3 — CID 161290777

IUPAC2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccc6ccccc6c45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C43H27N3/c1-3-14-29(15-4-1)41-44-42(30-16-5-2-6-17-30)46-43(45-41)33-25-31-18-8-11-21-35(31)38(27-33)39-26-32-19-9-10-20-34(32)37-24-23-28-13-7-12-22-36(28)40(37)39/h1-27H
InChIKeyMTDATJHFBTWZEA-UHFFFAOYSA-N
MW585.71 g/mol
LogP11.15
Rot. Bonds4

About 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 161290777) has the molecular formula C43H27N3 and a molecular weight of 585.71 g/mol. Its IUPAC name is 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID161290777
Molecular FormulaC43H27N3
Molecular Weight585.71 g/mol
Exact Mass585.22
IUPAC Name2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccc6ccccc6c45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C43H27N3/c1-3-14-29(15-4-1)41-44-42(30-16-5-2-6-17-30)46-43(45-41)33-25-31-18-8-11-21-35(31)38(27-33)39-26-32-19-9-10-20-34(32)37-24-23-28-13-7-12-22-36(28)40(37)39/h1-27H
InChIKeyMTDATJHFBTWZEA-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-[4-(3-thiapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166845215
2-benzo[g]phenanthren-3-yl-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158860815
2-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167087429
2-naphthalen-2-yl-4-(3-phenanthren-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 164981738
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323
2-benzo[g]phenanthren-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170132140
2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166741746
2-(3-chrysen-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(6-chrysen-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 167700070
2-(1-phenanthren-2-yldibenzothiophen-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174328600
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-dibenzofuran-4-yl-4-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,4,6,8,10,12,14,16,18,20-decaen-11-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166845207
1-[4-(4-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-h]isoquinoline
CID 174287218

Frequently Asked Questions

What is the IUPAC name of 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 161290777) is 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cc5ccccc5c5ccc6ccccc6c45)c4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MTDATJHFBTWZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3/c1-3-14-29(15-4-1)41-44-42(30-16-5-2-6-17-30)46-43(45-41)33-25-31-18-8-11-21-35(31)38(27-33)39-26-32-19-9-10-20-34(32)37-24-23-28-13-7-12-22-36(28)40(37)39/h1-27H.
What are the key properties of 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 585.71 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chrysen-5-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 161290777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).