2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C45H26ClN3O — CID 171457225

IUPAC2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESClc1cccc2c1oc1cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc4ccccc34)c12
InChIInChI=1S/C45H26ClN3O/c46-39-22-10-21-36-41-35(20-11-23-40(41)50-42(36)39)37-26-30(24-28-14-4-7-17-32(28)37)44-47-43(27-12-2-1-3-13-27)48-45(49-44)38-25-29-15-5-6-16-31(29)33-18-8-9-19-34(33)38/h1-26H
InChIKeyUJZADQIPSWXQJA-UHFFFAOYSA-N
MW660.18 g/mol
LogP12.55
Rot. Bonds4

About 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 171457225) has the molecular formula C45H26ClN3O and a molecular weight of 660.18 g/mol. Its IUPAC name is 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
PubChem CID171457225
Molecular FormulaC45H26ClN3O
Molecular Weight660.18 g/mol
Exact Mass659.18
IUPAC Name2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESClc1cccc2c1oc1cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc4ccccc34)c12
InChIInChI=1S/C45H26ClN3O/c46-39-22-10-21-36-41-35(20-11-23-40(41)50-42(36)39)37-26-30(24-28-14-4-7-17-32(28)37)44-47-43(27-12-2-1-3-13-27)48-45(49-44)38-25-29-15-5-6-16-31(29)33-18-8-9-19-34(33)38/h1-26H
InChIKeyUJZADQIPSWXQJA-UHFFFAOYSA-N
XLogP12.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.18
LogP ≤ 512.55
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

2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741639
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
2-phenanthren-9-yl-4-phenyl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818333
2-phenanthren-9-yl-4-(4-phenylphenyl)-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 164808417
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166739192
2-(8-chloronaphtho[2,1-b][1]benzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 155378825
2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 163945090
2-(9-phenanthren-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147818136
2-(7-chlorodibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166741757
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
CID 165025944
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
2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-phenanthren-9-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-(8-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-[6-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165010231

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 171457225) is 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is Clc1cccc2c1oc1cccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cc6ccccc6c6ccccc56)n4)cc4ccccc34)c12.
What is the InChIKey of 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The InChIKey is UJZADQIPSWXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26ClN3O/c46-39-22-10-21-36-41-35(20-11-23-40(41)50-42(36)39)37-26-30(24-28-14-4-7-17-32(28)37)44-47-43(27-12-2-1-3-13-27)48-45(49-44)38-25-29-15-5-6-16-31(29)33-18-8-9-19-34(33)38/h1-26H.
What are the key properties of 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 660.18 g/mol, XLogP of 12.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chlorodibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 171457225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).