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

C49H30N4S — CID 130265385

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccc7ccccc67)cc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4S/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)42-30-35(29-41-40-22-10-12-25-45(40)54-46(41)42)53-43-24-11-9-21-38(43)39-27-26-34(28-44(39)53)37-23-13-19-31-14-7-8-20-36(31)37/h1-30H
InChIKeyQMKNGJDBRUCXPQ-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.16
Rot. Bonds5

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole (PubChem CID 130265385) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
PubChem CID130265385
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccc7ccccc67)cc54)cc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C49H30N4S/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)42-30-35(29-41-40-22-10-12-25-45(40)54-46(41)42)53-43-24-11-9-21-38(43)39-27-26-34(28-44(39)53)37-23-13-19-31-14-7-8-20-36(31)37/h1-30H
InChIKeyQMKNGJDBRUCXPQ-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

12-[4-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154968507
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl]-2-phenylcarbazole
CID 147015427
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;2-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 158797000
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)phenyl]carbazole
CID 163810171
9-(4-dibenzofuran-1-yldibenzothiophen-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 139555563
9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole
CID 170228490
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7-phenylindolo[2,3-b]carbazole
CID 130265782
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
9-[2-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500324
2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole;2-dibenzothiophen-4-yl-9-[3-phenyl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164957839
2-dibenzothiophen-4-yl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 165076970
9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 90077403

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole (CID 130265385) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-n4c5ccccc5c5ccc(-c6cccc7ccccc67)cc54)cc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole?
The InChIKey is QMKNGJDBRUCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-3-15-32(16-4-1)47-50-48(33-17-5-2-6-18-33)52-49(51-47)42-30-35(29-41-40-22-10-12-25-45(40)54-46(41)42)53-43-24-11-9-21-38(43)39-27-26-34(28-44(39)53)37-23-13-19-31-14-7-8-20-36(31)37/h1-30H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole 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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-naphthalen-1-ylcarbazole is sourced from PubChem (CID 130265385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).