2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

C48H31N3 — CID 155115035

IUPAC2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc6ccc7ccccc7c6c5)cccc3C4c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N3/c1-4-15-33(16-5-1)43-39-23-12-22-38(36-29-28-32-27-26-31-14-10-11-21-37(31)42(32)30-36)44(39)45-40(43)24-13-25-41(45)48-50-46(34-17-6-2-7-18-34)49-47(51-48)35-19-8-3-9-20-35/h1-30,43H
InChIKeyXJRMNNMQWNHEMY-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.01
Rot. Bonds5

About 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine

2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155115035) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID155115035
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc6ccc7ccccc7c6c5)cccc3C4c3ccccc3)n2)cc1
InChIInChI=1S/C48H31N3/c1-4-15-33(16-5-1)43-39-23-12-22-38(36-29-28-32-27-26-31-14-10-11-21-37(31)42(32)30-36)44(39)45-40(43)24-13-25-41(45)48-50-46(34-17-6-2-7-18-34)49-47(51-48)35-19-8-3-9-20-35/h1-30,43H
InChIKeyXJRMNNMQWNHEMY-UHFFFAOYSA-N
XLogP12.01
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(4-phenanthren-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 171732105
2,4-diphenyl-6-[4-(12-phenyl-16-hexacyclo[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-undecaenyl)naphthalen-1-yl]-1,3,5-triazine
CID 156512694
3-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-[2-(2-phenylphenyl)phenyl]phenol
CID 170926556
2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164747995
2-(4-phenanthren-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 122416295
2,4-diphenyl-6-picen-4-yl-1,3,5-triazine
CID 167087403
2-(6-phenanthren-3-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170179950
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164961687
2-naphthalen-1-yl-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176588622
2-naphthalen-1-yl-4-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 174244397
2,4-diphenyl-6-[2-(7-phenyl-7H-fluoreno[4,3-b][1]benzothiol-2-yl)-5-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 167403516

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine (CID 155115035) is 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3c(-c5ccc6ccc7ccccc7c6c5)cccc3C4c3ccccc3)n2)cc1.
What is the InChIKey of 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XJRMNNMQWNHEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-15-33(16-5-1)43-39-23-12-22-38(36-29-28-32-27-26-31-14-10-11-21-37(31)42(32)30-36)44(39)45-40(43)24-13-25-41(45)48-50-46(34-17-6-2-7-18-34)49-47(51-48)35-19-8-3-9-20-35/h1-30,43H.
What are the key properties of 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine?
2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 649.80 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenanthren-3-yl-9-phenyl-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155115035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).