2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine

C53H39N9 — CID 176842995

IUPAC2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)n3)c2)n1
InChIInChI=1S/C53H39N9/c1-53(2,3)52-61-47(37-25-14-7-15-26-37)58-49(62-52)40-29-18-28-39(32-40)48-55-46(36-23-12-6-13-24-36)59-51(60-48)43-33-41(31-38-27-16-17-30-42(38)43)50-56-44(34-19-8-4-9-20-34)54-45(57-50)35-21-10-5-11-22-35/h4-33H,1-3H3
InChIKeyUSZSTZVDYSABQP-UHFFFAOYSA-N
MW801.96 g/mol
LogP12.03
Rot. Bonds8

About 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine

2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 176842995) has the molecular formula C53H39N9 and a molecular weight of 801.96 g/mol. Its IUPAC name is 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID176842995
Molecular FormulaC53H39N9
Molecular Weight801.96 g/mol
Exact Mass801.33
IUPAC Name2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESCC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)n3)c2)n1
InChIInChI=1S/C53H39N9/c1-53(2,3)52-61-47(37-25-14-7-15-26-37)58-49(62-52)40-29-18-28-39(32-40)48-55-46(36-23-12-6-13-24-36)59-51(60-48)43-33-41(31-38-27-16-17-30-42(38)43)50-56-44(34-19-8-4-9-20-34)54-45(57-50)35-21-10-5-11-22-35/h4-33H,1-3H3
InChIKeyUSZSTZVDYSABQP-UHFFFAOYSA-N
XLogP12.03
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.96
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-4-naphthalen-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113268
2,4-ditert-butyl-6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 176843132
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-1,3,5-triazine
CID 176843031
2-tert-butyl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168803489
2-tert-butyl-4-(3,5-diphenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 177113619
2-tert-butyl-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 176647044
2-tert-butyl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 168803765
2-tert-butyl-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 176627975
2-tert-butyl-4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176627416
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-(4-fluorophenyl)-1,3,5-triazine
CID 176842919
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-tert-butyl-4-[3-[4-[3-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-pyridin-2-ylphenyl]-6-phenyl-1,3,5-triazine
CID 176843202

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 176842995) is 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine is CC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc5ccccc45)n3)c2)n1.
What is the InChIKey of 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is USZSTZVDYSABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H39N9/c1-53(2,3)52-61-47(37-25-14-7-15-26-37)58-49(62-52)40-29-18-28-39(32-40)48-55-46(36-23-12-6-13-24-36)59-51(60-48)43-33-41(31-38-27-16-17-30-42(38)43)50-56-44(34-19-8-4-9-20-34)54-45(57-50)35-21-10-5-11-22-35/h4-33H,1-3H3.
What are the key properties of 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 801.96 g/mol, XLogP of 12.03, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176842995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).