2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine

C129H122N8S — CID 159081054

IUPAC2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2ccccc2)c2ccccc12.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C26H23N.C25H21N3S.C22H20N2.C21H21N.C20H20.C15H17N/c1-26(2,3)20-13-15-25-23(17-20)22-10-6-7-11-24(22)27(25)21-14-12-18-8-4-5-9-19(18)16-21;1-25(2,3)24-27-22(16-10-5-4-6-11-16)26-23(28-24)19-14-9-13-18-17-12-7-8-15-20(17)29-21(18)19;1-22(2,3)21-23-19-11-7-6-10-18(19)20(24-21)17-13-12-15-8-4-5-9-16(15)14-17;1-21(2,3)20-15-18(16-10-6-4-7-11-16)14-19(22-20)17-12-8-5-9-13-17;1-20(2,3)19-14-13-16(15-9-5-4-6-10-15)17-11-7-8-12-18(17)19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-17H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-11H,1-3H3
InChIKeyKAVYSNBBYPMZAU-UHFFFAOYSA-N
MW1816.52 g/mol
LogP35.42
Rot. Bonds8

About 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine

2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine (PubChem CID 159081054) has the molecular formula C129H122N8S and a molecular weight of 1816.52 g/mol. Its IUPAC name is 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine
PubChem CID159081054
Molecular FormulaC129H122N8S
Molecular Weight1816.52 g/mol
Exact Mass1814.95
IUPAC Name2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2ccccc2)c2ccccc12.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1
InChIInChI=1S/C26H23N.C25H21N3S.C22H20N2.C21H21N.C20H20.C15H17N/c1-26(2,3)20-13-15-25-23(17-20)22-10-6-7-11-24(22)27(25)21-14-12-18-8-4-5-9-19(18)16-21;1-25(2,3)24-27-22(16-10-5-4-6-11-16)26-23(28-24)19-14-9-13-18-17-12-7-8-15-20(17)29-21(18)19;1-22(2,3)21-23-19-11-7-6-10-18(19)20(24-21)17-13-12-15-8-4-5-9-16(15)14-17;1-21(2,3)20-15-18(16-10-6-4-7-11-16)14-19(22-20)17-12-8-5-9-13-17;1-20(2,3)19-14-13-16(15-9-5-4-6-10-15)17-11-7-8-12-18(17)19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-17H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-11H,1-3H3
InChIKeyKAVYSNBBYPMZAU-UHFFFAOYSA-N
XLogP35.42
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001816.52
LogP ≤ 535.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine with MolForge

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Related Compounds

5-[6-(2-dibenzothiophen-4-ylquinazolin-4-yl)naphthalen-2-yl]benzo[b]carbazole
CID 139362260
3-carbazol-9-yl-9-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-carbazol-9-yl-9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 161474425
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)phenyl]carbazole
CID 163810171
4-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 171582614
9-[3-[4-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 168831658
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639
9-(8-tert-butyldibenzofuran-2-yl)carbazole;9-(8-tert-butyldibenzothiophen-2-yl)carbazole;4-tert-butyl-2,6-diphenylpyridine;2-tert-butyl-4,6-diphenylpyrimidine;4-tert-butyl-2,6-diphenylpyrimidine;2-tert-butyl-4,6-diphenyl-1,3,5-triazine;2-(3-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-tert-butylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 159782297
4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine
CID 159988163
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
11-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;11-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-thia-12-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 158507207

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine?
The IUPAC name of 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine (CID 159081054) is 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine?
The canonical SMILES for 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine is CC(C)(C)c1cc(-c2ccccc2)cc(-c2ccccc2)n1.CC(C)(C)c1ccc(-c2ccccc2)c2ccccc12.CC(C)(C)c1ccc(-c2ccccn2)cc1.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc2ccccc2c1.CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2ccccc2n1.CC(C)(C)c1nc(-c2ccccc2)nc(-c2cccc3c2sc2ccccc23)n1.
What is the InChIKey of 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine?
The InChIKey is KAVYSNBBYPMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N.C25H21N3S.C22H20N2.C21H21N.C20H20.C15H17N/c1-26(2,3)20-13-15-25-23(17-20)22-10-6-7-11-24(22)27(25)21-14-12-18-8-4-5-9-19(18)16-21;1-25(2,3)24-27-22(16-10-5-4-6-11-16)26-23(28-24)19-14-9-13-18-17-12-7-8-15-20(17)29-21(18)19;1-22(2,3)21-23-19-11-7-6-10-18(19)20(24-21)17-13-12-15-8-4-5-9-16(15)14-17;1-21(2,3)20-15-18(16-10-6-4-7-11-16)14-19(22-20)17-12-8-5-9-13-17;1-20(2,3)19-14-13-16(15-9-5-4-6-10-15)17-11-7-8-12-18(17)19;1-15(2,3)13-9-7-12(8-10-13)14-6-4-5-11-16-14/h4-17H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-11H,1-3H3.
What are the key properties of 2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine?
2-tert-butyl-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine has a molecular weight of 1816.52 g/mol, XLogP of 35.42, 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-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4,6-diphenylpyridine;3-tert-butyl-9-naphthalen-2-ylcarbazole;2-tert-butyl-4-naphthalen-2-ylquinazoline;1-tert-butyl-4-phenylnaphthalene;2-(4-tert-butylphenyl)pyridine is sourced from PubChem (CID 159081054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).