2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine

C41H31N3O — CID 169278789

IUPAC2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1cccc(-c3nc(-c4ccc(C5CCCCC5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c12
InChIInChI=1S/C41H31N3O/c1-2-10-26(11-3-1)27-20-24-30(25-21-27)39-42-40(34-17-8-13-29-23-22-28-12-4-5-14-31(28)37(29)34)44-41(43-39)35-18-9-16-33-32-15-6-7-19-36(32)45-38(33)35/h4-9,12-26H,1-3,10-11H2
InChIKeyIOJZRJIHBWEOCM-UHFFFAOYSA-N
MW581.72 g/mol
LogP11.13
Rot. Bonds4

About 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine

2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine (PubChem CID 169278789) has the molecular formula C41H31N3O and a molecular weight of 581.72 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
PubChem CID169278789
Molecular FormulaC41H31N3O
Molecular Weight581.72 g/mol
Exact Mass581.25
IUPAC Name2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
SMILESc1ccc2c(c1)ccc1cccc(-c3nc(-c4ccc(C5CCCCC5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c12
InChIInChI=1S/C41H31N3O/c1-2-10-26(11-3-1)27-20-24-30(25-21-27)39-42-40(34-17-8-13-29-23-22-28-12-4-5-14-31(28)37(29)34)44-41(43-39)35-18-9-16-33-32-15-6-7-19-36(32)45-38(33)35/h4-9,12-26H,1-3,10-11H2
InChIKeyIOJZRJIHBWEOCM-UHFFFAOYSA-N
XLogP11.13
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.72
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-dibenzofuran-4-yl-4-(4-fluorophenyl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278749
2-(4-tert-butylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine
CID 169278969
2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-(4-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278757
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278868
8-[4-(4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 169278852
2,4-di(dibenzofuran-4-yl)-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazine
CID 169278664
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-4-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenanthren-4-yl-1,3,5-triazine
CID 169278835
2-dibenzofuran-2-yl-4-phenanthren-4-yl-6-phenyl-1,3,5-triazine
CID 169278620
2-dibenzofuran-4-yl-4-(25-oxahexacyclo[12.11.0.02,11.03,8.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaen-13-yl)-6-phenyl-1,3,5-triazine
CID 163898297
2-dibenzofuran-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741551
2-dibenzofuran-4-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168731919

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine?
The IUPAC name of 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine (CID 169278789) is 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine is c1ccc2c(c1)ccc1cccc(-c3nc(-c4ccc(C5CCCCC5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c12.
What is the InChIKey of 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine?
The InChIKey is IOJZRJIHBWEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31N3O/c1-2-10-26(11-3-1)27-20-24-30(25-21-27)39-42-40(34-17-8-13-29-23-22-28-12-4-5-14-31(28)37(29)34)44-41(43-39)35-18-9-16-33-32-15-6-7-19-36(32)45-38(33)35/h4-9,12-26H,1-3,10-11H2.
What are the key properties of 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine?
2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine has a molecular weight of 581.72 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-4-dibenzofuran-4-yl-6-phenanthren-4-yl-1,3,5-triazine is sourced from PubChem (CID 169278789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).