2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine

C41H25N3O — CID 176616809

IUPAC2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)cc23)cc1
InChIInChI=1S/C41H25N3O/c1-3-9-26(10-4-1)30-19-21-34-36-24-32(20-22-37(36)45-38(34)25-30)41-43-39(29-12-5-2-6-13-29)42-40(44-41)31-18-17-28-16-15-27-11-7-8-14-33(27)35(28)23-31/h1-25H
InChIKeyMIOQRYYIAPWSJJ-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine

2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine (PubChem CID 176616809) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
PubChem CID176616809
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)cc23)cc1
InChIInChI=1S/C41H25N3O/c1-3-9-26(10-4-1)30-19-21-34-36-24-32(20-22-37(36)45-38(34)25-30)41-43-39(29-12-5-2-6-13-29)42-40(44-41)31-18-17-28-16-15-27-11-7-8-14-33(27)35(28)23-31/h1-25H
InChIKeyMIOQRYYIAPWSJJ-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
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-dibenzofuran-2-yl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176617028
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2-chrysen-2-yl-4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176851515

Frequently Asked Questions

What is the IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine (CID 176616809) is 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)oc2ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccc7ccccc7c6c5)n4)cc23)cc1.
What is the InChIKey of 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
The InChIKey is MIOQRYYIAPWSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-9-26(10-4-1)30-19-21-34-36-24-32(20-22-37(36)45-38(34)25-30)41-43-39(29-12-5-2-6-13-29)42-40(44-41)31-18-17-28-16-15-27-11-7-8-14-33(27)35(28)23-31/h1-25H.
What are the key properties of 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine?
2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenanthren-3-yl-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 176616809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).