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

C34H22N4S — CID 153329360

IUPAC3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole
SMILESc1ccc(-c2nc(Cc3ccc4[nH]c5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C34H22N4S/c1-2-9-22(10-3-1)33-36-31(20-21-17-18-29-27(19-21)23-11-4-6-15-28(23)35-29)37-34(38-33)26-14-8-13-25-24-12-5-7-16-30(24)39-32(25)26/h1-19,35H,20H2
InChIKeyAYNVCXKVUMFMQC-UHFFFAOYSA-N
MW518.65 g/mol
LogP8.80
Rot. Bonds4

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

3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole (PubChem CID 153329360) has the molecular formula C34H22N4S and a molecular weight of 518.65 g/mol. Its IUPAC name is 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole.

Molecular Properties

Compound Name3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole
PubChem CID153329360
Molecular FormulaC34H22N4S
Molecular Weight518.65 g/mol
Exact Mass518.16
IUPAC Name3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole
SMILESc1ccc(-c2nc(Cc3ccc4[nH]c5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C34H22N4S/c1-2-9-22(10-3-1)33-36-31(20-21-17-18-29-27(19-21)23-11-4-6-15-28(23)35-29)37-34(38-33)26-14-8-13-25-24-12-5-7-16-30(24)39-32(25)26/h1-19,35H,20H2
InChIKeyAYNVCXKVUMFMQC-UHFFFAOYSA-N
XLogP8.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 177112658
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812
2-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 164737126
2-naphtho[1,2-b][1]benzothiol-4-yl-4,6-diphenyl-1,3,5-triazine
CID 146658673
2-[4-(1-benzothiophen-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 146183517
2-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176831433
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 139442046
2-dibenzothiophen-4-yl-4-[4-(7-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441660

Frequently Asked Questions

What is the IUPAC name of 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole?
The IUPAC name of 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole (CID 153329360) is 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole.
What is the SMILES notation for 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole?
The canonical SMILES for 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole is c1ccc(-c2nc(Cc3ccc4[nH]c5ccccc5c4c3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole?
The InChIKey is AYNVCXKVUMFMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4S/c1-2-9-22(10-3-1)33-36-31(20-21-17-18-29-27(19-21)23-11-4-6-15-28(23)35-29)37-34(38-33)26-14-8-13-25-24-12-5-7-16-30(24)39-32(25)26/h1-19,35H,20H2.
What are the key properties of 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole?
3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole has a molecular weight of 518.65 g/mol, XLogP of 8.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)methyl]-9H-carbazole is sourced from PubChem (CID 153329360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).