2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine

C42H35N3Si — CID 163724706

IUPAC2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine
SMILESCC1C=CC2=C(C1)[Si](C)(C)c1c2cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C42H35N3Si/c1-28-17-26-35-36-15-10-16-37(39(36)46(2,3)38(35)27-28)42-44-40(33-22-18-31(19-23-33)29-11-6-4-7-12-29)43-41(45-42)34-24-20-32(21-25-34)30-13-8-5-9-14-30/h4-26,28H,27H2,1-3H3
InChIKeyKUOYEOASWILMFI-UHFFFAOYSA-N
MW609.85 g/mol
LogP10.02
Rot. Bonds5

About 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine

2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine (PubChem CID 163724706) has the molecular formula C42H35N3Si and a molecular weight of 609.85 g/mol. Its IUPAC name is 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine
PubChem CID163724706
Molecular FormulaC42H35N3Si
Molecular Weight609.85 g/mol
Exact Mass609.26
IUPAC Name2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine
SMILESCC1C=CC2=C(C1)[Si](C)(C)c1c2cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C42H35N3Si/c1-28-17-26-35-36-15-10-16-37(39(36)46(2,3)38(35)27-28)42-44-40(33-22-18-31(19-23-33)29-11-6-4-7-12-29)43-41(45-42)34-24-20-32(21-25-34)30-13-8-5-9-14-30/h4-26,28H,27H2,1-3H3
InChIKeyKUOYEOASWILMFI-UHFFFAOYSA-N
XLogP10.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.85
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155787052
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
2-(5,5-dimethyl-1-phenylbenzo[b][1]benzosilol-4-yl)-4-(5,5-dimethyl-9-phenylbenzo[b][1]benzosilol-4-yl)-6-phenyl-1,3,5-triazine
CID 156661375
CID 146536637
CID 146536637
2-(5,5-dimethylnaphtho[2,3-b][1]benzosilol-4-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158350356
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-phenyl-4,6-bis[2-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 157180464
17-(9,9-dimethylfluoren-2-yl)-7,10,10-trimethyl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
CID 91501056
2,4-diphenyl-6-(5,5,10,10-tetramethylindeno[1,2-b][1]benzosilol-6-yl)-1,3,5-triazine
CID 90296239
2-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-5,5-dimethyl-4-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747498
2,4-bis(5,5-dimethyl-4-phenylbenzo[b][1]benzosilol-3-yl)-6-phenyl-1,3,5-triazine
CID 156661346
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine (CID 163724706) is 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine is CC1C=CC2=C(C1)[Si](C)(C)c1c2cccc1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine?
The InChIKey is KUOYEOASWILMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3Si/c1-28-17-26-35-36-15-10-16-37(39(36)46(2,3)38(35)27-28)42-44-40(33-22-18-31(19-23-33)29-11-6-4-7-12-29)43-41(45-42)34-24-20-32(21-25-34)30-13-8-5-9-14-30/h4-26,28H,27H2,1-3H3.
What are the key properties of 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine?
2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine has a molecular weight of 609.85 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-phenylphenyl)-6-(3,5,5-trimethyl-3,4-dihydrobenzo[b][1]benzosilol-6-yl)-1,3,5-triazine is sourced from PubChem (CID 163724706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).