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

C35H22BrN3 — CID 162392902

IUPAC2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1c(-c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccccc12
InChIInChI=1S/C35H22BrN3/c36-32-29-19-11-10-18-27(29)28-21-20-26(22-30(28)31(32)23-12-4-1-5-13-23)35-38-33(24-14-6-2-7-15-24)37-34(39-35)25-16-8-3-9-17-25/h1-22H
InChIKeyCMBJUHGKKGUIME-UHFFFAOYSA-N
MW564.49 g/mol
LogP9.61
Rot. Bonds4

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

2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 162392902) has the molecular formula C35H22BrN3 and a molecular weight of 564.49 g/mol. Its IUPAC name is 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID162392902
Molecular FormulaC35H22BrN3
Molecular Weight564.49 g/mol
Exact Mass563.10
IUPAC Name2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1c(-c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccccc12
InChIInChI=1S/C35H22BrN3/c36-32-29-19-11-10-18-27(29)28-21-20-26(22-30(28)31(32)23-12-4-1-5-13-23)35-38-33(24-14-6-2-7-15-24)37-34(39-35)25-16-8-3-9-17-25/h1-22H
InChIKeyCMBJUHGKKGUIME-UHFFFAOYSA-N
XLogP9.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.49
LogP ≤ 59.61
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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Related Compounds

2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine
CID 129099164
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-phenyl-4-[4-[3-[3-[4-[4-(4-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 155380136
2,4-diphenyl-6-[10-phenyl-9-(6-phenyl-3-pyridinyl)phenanthren-2-yl]-1,3,5-triazine
CID 162392887
2,4-bis(4-phenylphenyl)-6-(10-phenyl-9-pyridin-3-ylphenanthren-2-yl)-1,3,5-triazine
CID 162392900
2-phenyl-4-pyridin-4-yl-6-triphenylen-2-yl-1,3,5-triazine
CID 118014045
2,4-di(chrysen-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 157117117
2,4-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
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-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 162392902) is 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine is Brc1c(-c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccccc12.
What is the InChIKey of 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CMBJUHGKKGUIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN3/c36-32-29-19-11-10-18-27(29)28-21-20-26(22-30(28)31(32)23-12-4-1-5-13-23)35-38-33(24-14-6-2-7-15-24)37-34(39-35)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 564.49 g/mol, XLogP of 9.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 162392902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).