2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C51H35N3 — CID 167132031

IUPAC2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESC1=c2c(c3cc(-c4cccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)ccc3c3ccccc23)=CCC1
InChIInChI=1S/C51H35N3/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)49-52-50(39-28-24-37(25-29-39)35-14-5-2-6-15-35)54-51(53-49)42-17-11-16-40(32-42)41-30-31-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)48(47)33-41/h1-8,11-33H,9-10H2
InChIKeyBEZZOIZXHXRCIF-UHFFFAOYSA-N
MW689.86 g/mol
LogP11.53
Rot. Bonds6

About 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167132031) has the molecular formula C51H35N3 and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID167132031
Molecular FormulaC51H35N3
Molecular Weight689.86 g/mol
Exact Mass689.28
IUPAC Name2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESC1=c2c(c3cc(-c4cccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)ccc3c3ccccc23)=CCC1
InChIInChI=1S/C51H35N3/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)49-52-50(39-28-24-37(25-29-39)35-14-5-2-6-15-35)54-51(53-49)42-17-11-16-40(32-42)41-30-31-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)48(47)33-41/h1-8,11-33H,9-10H2
InChIKeyBEZZOIZXHXRCIF-UHFFFAOYSA-N
XLogP11.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 511.53
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-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-bis(3-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545362
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2,4-bis(3-phenylphenyl)-6-triphenylen-2-ylpyrimidine;4,6-bis(3-phenylphenyl)-2-triphenylen-2-ylpyrimidine;2,4-bis(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-triphenylen-2-yl-1,3,5-triazine
CID 158543149
2-[3,5-di(triphenylen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 129150891
2-(4-fluorophenyl)-4-(4-phenylphenyl)-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118545355
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052337
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127

Frequently Asked Questions

What is the IUPAC name of 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 167132031) is 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is C1=c2c(c3cc(-c4cccc(-c5nc(-c6ccc(-c7ccccc7)cc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)ccc3c3ccccc23)=CCC1.
What is the InChIKey of 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is BEZZOIZXHXRCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3/c1-3-12-34(13-4-1)36-22-26-38(27-23-36)49-52-50(39-28-24-37(25-29-39)35-14-5-2-6-15-35)54-51(53-49)42-17-11-16-40(32-42)41-30-31-47-45-20-8-7-18-43(45)44-19-9-10-21-46(44)48(47)33-41/h1-8,11-33H,9-10H2.
What are the key properties of 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 689.86 g/mol, XLogP of 11.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167132031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).