4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C49H30N4S — CID 170927836

IUPAC4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C49H30N4S/c1-2-14-36(15-3-1)53-42-21-8-6-17-39(42)45-40(19-11-22-43(45)53)48-50-47(33-27-24-32(25-28-33)35-29-26-31-12-4-5-13-34(31)30-35)51-49(52-48)41-20-10-18-38-37-16-7-9-23-44(37)54-46(38)41/h1-30H
InChIKeyJWUFPVSGLYMITC-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.16
Rot. Bonds5

About 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 170927836) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID170927836
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1
InChIInChI=1S/C49H30N4S/c1-2-14-36(15-3-1)53-42-21-8-6-17-39(42)45-40(19-11-22-43(45)53)48-50-47(33-27-24-32(25-28-33)35-29-26-31-12-4-5-13-34(31)30-35)51-49(52-48)41-20-10-18-38-37-16-7-9-23-44(37)54-46(38)41/h1-30H
InChIKeyJWUFPVSGLYMITC-UHFFFAOYSA-N
XLogP13.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170151798
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 147359936
4-(4-dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534565
4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154231
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 139441659
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621664
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
4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-9-phenylcarbazole
CID 118154323
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
9-[3-[4-[4-[4-dibenzothiophen-4-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 168831658
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309

Frequently Asked Questions

What is the IUPAC name of 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 170927836) is 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.
What is the InChIKey of 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is JWUFPVSGLYMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-2-14-36(15-3-1)53-42-21-8-6-17-39(42)45-40(19-11-22-43(45)53)48-50-47(33-27-24-32(25-28-33)35-29-26-31-12-4-5-13-34(31)30-35)51-49(52-48)41-20-10-18-38-37-16-7-9-23-44(37)54-46(38)41/h1-30H.
What are the key properties of 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 706.87 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 170927836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).