10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole

C42H27N5 — CID 129095673

IUPAC10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1
InChIInChI=1S/C42H27N5/c1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-27H
InChIKeyDLVBKJSUKSSKAL-UHFFFAOYSA-N
MW601.71 g/mol
LogP10.18
Rot. Bonds5

About 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole (PubChem CID 129095673) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole.

Molecular Properties

Compound Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
PubChem CID129095673
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1
InChIInChI=1S/C42H27N5/c1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-27H
InChIKeyDLVBKJSUKSSKAL-UHFFFAOYSA-N
XLogP10.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746453
10-(3-benzo[c]carbazol-7-ylphenyl)-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 138746461
10-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 167045825
9-benzo[c]carbazol-7-yl-1,2-diphenylnaphtho[1,2-e]benzimidazole
CID 134365245
4,5,14-triphenyl-4,6,14-triazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 164589111
1-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 171812770
16-(1,2-diphenylnaphtho[1,2-e]benzimidazol-10-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134365246
16-(1,2-diphenylnaphtho[1,2-e]benzimidazol-9-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134365350
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-16,17-diphenyl-23-oxa-3,16,18-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,19]tricosa-1(13),2(10),4,6,8,11,14(22),15(19),17,20-decaene
CID 122524067
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylnaphtho[1,2-e]benzimidazole
CID 138746198
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204

Frequently Asked Questions

What is the IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The IUPAC name of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole (CID 129095673) is 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole.
What is the SMILES notation for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The canonical SMILES for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5ccc6nc(-c7ccccc7)n(-c7ccccc7)c6c5c4c3)n2)cc1.
What is the InChIKey of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole?
The InChIKey is DLVBKJSUKSSKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-5-13-30(14-6-1)39-44-40(31-15-7-2-8-16-31)46-41(45-39)33-24-22-28-21-23-29-25-26-36-38(37(29)35(28)27-33)47(34-19-11-4-12-20-34)42(43-36)32-17-9-3-10-18-32/h1-27H.
What are the key properties of 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole?
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole has a molecular weight of 601.71 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,2-diphenylnaphtho[1,2-e]benzimidazole is sourced from PubChem (CID 129095673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).