9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole

C43H24N4OS — CID 146657971

IUPAC9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5ccc6c7ccccc7sc6c5c4)nc(-n4c5ccccc5c5ccccc54)n3)c12
InChIInChI=1S/C43H24N4OS/c1-5-15-34-27(10-1)28-11-2-6-16-35(28)47(34)43-45-41(44-42(46-43)32-14-9-18-37-39(32)31-13-3-7-17-36(31)48-37)26-21-20-25-22-23-30-29-12-4-8-19-38(29)49-40(30)33(25)24-26/h1-24H
InChIKeyOMGHWCZSXQLNCQ-UHFFFAOYSA-N
MW644.76 g/mol
LogP11.72
Rot. Bonds3

About 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole

9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole (PubChem CID 146657971) has the molecular formula C43H24N4OS and a molecular weight of 644.76 g/mol. Its IUPAC name is 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole
PubChem CID146657971
Molecular FormulaC43H24N4OS
Molecular Weight644.76 g/mol
Exact Mass644.17
IUPAC Name9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole
SMILESc1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5ccc6c7ccccc7sc6c5c4)nc(-n4c5ccccc5c5ccccc54)n3)c12
InChIInChI=1S/C43H24N4OS/c1-5-15-34-27(10-1)28-11-2-6-16-35(28)47(34)43-45-41(44-42(46-43)32-14-9-18-37-39(32)31-13-3-7-17-36(31)48-37)26-21-20-25-22-23-30-29-12-4-8-19-38(29)49-40(30)33(25)24-26/h1-24H
InChIKeyOMGHWCZSXQLNCQ-UHFFFAOYSA-N
XLogP11.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.76
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-(7-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952562
9-[2-(4-dibenzofuran-1-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534463
8-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157494038
9-[4-(9-dibenzofuran-1-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155357980
3-dibenzofuran-3-yl-9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-3-yl-9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-3-yl-9-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 165046389
4-[9-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149190181
3-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 166953306
2-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 154978542
2-(7-naphtho[1,2-b][1]benzothiol-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741125
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-naphtho[1,2-b][1]benzothiol-7-yl-1,3,5-triazine
CID 162696771
9-[4-(9-dibenzothiophen-2-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166953299
3-[9-[9-(4-carbazol-9-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768734

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole (CID 146657971) is 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole is c1ccc2c(c1)oc1cccc(-c3nc(-c4ccc5ccc6c7ccccc7sc6c5c4)nc(-n4c5ccccc5c5ccccc54)n3)c12.
What is the InChIKey of 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole?
The InChIKey is OMGHWCZSXQLNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4OS/c1-5-15-34-27(10-1)28-11-2-6-16-35(28)47(34)43-45-41(44-42(46-43)32-14-9-18-37-39(32)31-13-3-7-17-36(31)48-37)26-21-20-25-22-23-30-29-12-4-8-19-38(29)49-40(30)33(25)24-26/h1-24H.
What are the key properties of 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole?
9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole has a molecular weight of 644.76 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-1-yl-6-naphtho[1,2-b][1]benzothiol-2-yl-1,3,5-triazin-2-yl)carbazole is sourced from PubChem (CID 146657971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).