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

C45H28N4S — CID 146572320

IUPAC9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)34-21-12-23-39-42(34)37-20-7-9-22-38(37)49(39)33-18-11-17-31(27-33)44-46-43(30-15-5-2-6-16-30)47-45(48-44)32-25-26-36-35-19-8-10-24-40(35)50-41(36)28-32/h1-28H
InChIKeyBQPUDGYCMFLFIE-UHFFFAOYSA-N
MW656.81 g/mol
LogP12.00
Rot. Bonds5

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

9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole (PubChem CID 146572320) has the molecular formula C45H28N4S and a molecular weight of 656.81 g/mol. Its IUPAC name is 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
PubChem CID146572320
Molecular FormulaC45H28N4S
Molecular Weight656.81 g/mol
Exact Mass656.20
IUPAC Name9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C45H28N4S/c1-3-13-29(14-4-1)34-21-12-23-39-42(34)37-20-7-9-22-38(37)49(39)33-18-11-17-31(27-33)44-46-43(30-15-5-2-6-16-30)47-45(48-44)32-25-26-36-35-19-8-10-24-40(35)50-41(36)28-32/h1-28H
InChIKeyBQPUDGYCMFLFIE-UHFFFAOYSA-N
XLogP12.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.81
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
4-[4-dibenzothiophen-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165098762
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[4-[9-[11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-yl]carbazol-4-yl]phenyl]-9-(4-phenylcarbazol-9-yl)-[1]benzothiolo[2,3-b]carbazole
CID 166836622
4-[8-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 160649788
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715
9-[3-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747324
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014738
4-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158491258
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
3-carbazol-9-yl-9-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylcarbazole
CID 146280378
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole?
The IUPAC name of 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole (CID 146572320) is 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole.
What is the SMILES notation for 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole?
The canonical SMILES for 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6ccccc6)cccc54)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole?
The InChIKey is BQPUDGYCMFLFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4S/c1-3-13-29(14-4-1)34-21-12-23-39-42(34)37-20-7-9-22-38(37)49(39)33-18-11-17-31(27-33)44-46-43(30-15-5-2-6-16-30)47-45(48-44)32-25-26-36-35-19-8-10-24-40(35)50-41(36)28-32/h1-28H.
What are the key properties of 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole?
9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole has a molecular weight of 656.81 g/mol, XLogP of 12.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole is sourced from PubChem (CID 146572320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).