2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C46H31N3O — CID 169281789

IUPAC2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILES[2H]C1([2H])Oc2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2-c2ccccc21
InChIInChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-17-9-16-37(29-38)40-19-10-20-42-43(40)41-18-8-7-15-39(41)30-50-42/h1-29H,30H2/i30D2
InChIKeyHEBRZCZBWNTKAW-GQSUAVQFSA-N
MW643.79 g/mol
LogP11.43
Rot. Bonds6

About 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169281789) has the molecular formula C46H31N3O and a molecular weight of 643.79 g/mol. Its IUPAC name is 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID169281789
Molecular FormulaC46H31N3O
Molecular Weight643.79 g/mol
Exact Mass643.26
IUPAC Name2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILES[2H]C1([2H])Oc2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2-c2ccccc21
InChIInChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-17-9-16-37(29-38)40-19-10-20-42-43(40)41-18-8-7-15-39(41)30-50-42/h1-29H,30H2/i30D2
InChIKeyHEBRZCZBWNTKAW-GQSUAVQFSA-N
XLogP11.43
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-4-ylphenyl)-4-[4-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169281810
2-[3-(6H-benzo[c]chromen-1-yl)-5-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 169281861
2-[3-(6H-benzo[c]chromen-10-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169281799
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
CID 174132160
CID 174132160
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 157451002
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 169281789) is 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is [2H]C1([2H])Oc2cccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)c3)c2-c2ccccc21.
What is the InChIKey of 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is HEBRZCZBWNTKAW-GQSUAVQFSA-N. The full InChI is InChI=1S/C46H31N3O/c1-3-11-31(12-4-1)33-21-25-35(26-22-33)44-47-45(36-27-23-34(24-28-36)32-13-5-2-6-14-32)49-46(48-44)38-17-9-16-37(29-38)40-19-10-20-42-43(40)41-18-8-7-15-39(41)30-50-42/h1-29H,30H2/i30D2.
What are the key properties of 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 643.79 g/mol, XLogP of 11.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,6-dideuteriobenzo[c]chromen-1-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169281789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).