2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

C44H31N3 — CID 167113631

IUPAC2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=C[C@H](c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cc3c(c4ccccc24)Cc2ccc(-c4ccccc4)cc2-3)=C1
InChIInChI=1S/C44H31N3/c1-4-13-29(14-5-1)32-23-24-34-27-40-37-22-11-10-21-36(37)39(28-41(40)38(34)26-32)33-19-12-20-35(25-33)44-46-42(30-15-6-2-7-16-30)45-43(47-44)31-17-8-3-9-18-31/h1-24,26,28,35H,25,27H2/t35-/m0/s1
InChIKeyONQKZSZTZJCPHD-DHUJRADRSA-N
MW601.75 g/mol
LogP10.72
Rot. Bonds5

About 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (PubChem CID 167113631) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
PubChem CID167113631
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
SMILESC1=C[C@H](c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cc3c(c4ccccc24)Cc2ccc(-c4ccccc4)cc2-3)=C1
InChIInChI=1S/C44H31N3/c1-4-13-29(14-5-1)32-23-24-34-27-40-37-22-11-10-21-36(37)39(28-41(40)38(34)26-32)33-19-12-20-35(25-33)44-46-42(30-15-6-2-7-16-30)45-43(47-44)31-17-8-3-9-18-31/h1-24,26,28,35H,25,27H2/t35-/m0/s1
InChIKeyONQKZSZTZJCPHD-DHUJRADRSA-N
XLogP10.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 510.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,6-diphenyl-9H-fluoren-1-yl)-5-phenylphenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159816349
2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 134186431
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
9-phenyl-4-[5-[3-[4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexa-1,3-dien-1-yl]carbazole
CID 164843442
12,12-dimethyl-11-[4-phenyl-6-[3-[5-[4-(3-phenylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163498883
2,4-diphenyl-6-[3-(8-phenyl-9H-fluoren-3-yl)phenyl]-1,3,5-triazine;methane
CID 161009939
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]carbazole
CID 146335978
2-(3-dibenzofuran-1-ylphenyl)-4-(1,2-dihydronaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 167008024
2-(10,10-dimethyl-12H-indeno[2,1-b]fluoren-11-yl)-4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 134218216
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine (CID 167113631) is 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is C1=C[C@H](c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC(c2cc3c(c4ccccc24)Cc2ccc(-c4ccccc4)cc2-3)=C1.
What is the InChIKey of 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
The InChIKey is ONQKZSZTZJCPHD-DHUJRADRSA-N. The full InChI is InChI=1S/C44H31N3/c1-4-13-29(14-5-1)32-23-24-34-27-40-37-22-11-10-21-36(37)39(28-41(40)38(34)26-32)33-19-12-20-35(25-33)44-46-42(30-15-6-2-7-16-30)45-43(47-44)31-17-8-3-9-18-31/h1-24,26,28,35H,25,27H2/t35-/m0/s1.
What are the key properties of 2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine has a molecular weight of 601.75 g/mol, XLogP of 10.72, 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-[(1R)-5-(8-phenyl-11H-benzo[a]fluoren-5-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine is sourced from PubChem (CID 167113631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).