2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine

C49H31N3 — CID 126667576

IUPAC2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C49H31N3/c1-4-16-32(17-5-1)43-30-35-28-29-36(31-44(35)38-23-11-10-22-37(38)43)45-39-24-12-14-26-41(39)46(42-27-15-13-25-40(42)45)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-31H
InChIKeyOINRRECYCHMOCY-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine

2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine (PubChem CID 126667576) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine
PubChem CID126667576
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)n2)cc1
InChIInChI=1S/C49H31N3/c1-4-16-32(17-5-1)43-30-35-28-29-36(31-44(35)38-23-11-10-22-37(38)43)45-39-24-12-14-26-41(39)46(42-27-15-13-25-40(42)45)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-31H
InChIKeyOINRRECYCHMOCY-UHFFFAOYSA-N
XLogP12.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylbenzo[a]tetracen-13-yl]-4,6-diphenyl-1,3,5-triazine
CID 89177922
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 176632656
3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942160
3-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942140
2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 153302047
2-chloro-4-phenyl-6-(3-phenylphenanthren-9-yl)-1,3,5-triazine
CID 169040020
2-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632523
2,4-diphenyl-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine;2-(10-naphthalen-1-ylanthracen-9-yl)-4,6-diphenyl-1,3,5-triazine;2-(10-naphthalen-2-ylanthracen-9-yl)-4,6-diphenyl-1,3,5-triazine;2-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 160718534
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,10-dinaphthalen-2-ylanthracen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 58233244

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine (CID 126667576) is 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c4ccccc4c(-c4ccc5cc(-c6ccccc6)c6ccccc6c5c4)c4ccccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine?
The InChIKey is OINRRECYCHMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-4-16-32(17-5-1)43-30-35-28-29-36(31-44(35)38-23-11-10-22-37(38)43)45-39-24-12-14-26-41(39)46(42-27-15-13-25-40(42)45)49-51-47(33-18-6-2-7-19-33)50-48(52-49)34-20-8-3-9-21-34/h1-31H.
What are the key properties of 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine?
2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine has a molecular weight of 661.81 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 126667576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).