9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole

C51H29N5OS — CID 170373893

IUPAC9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7ccccc76)ccc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C51H29N5OS/c1-6-22-41-31(13-1)32-14-2-7-23-42(32)55(41)30-27-28-36-38-19-12-21-40(48(38)58-46(36)29-30)50-52-49(39-20-11-18-37-35-17-5-10-26-45(35)57-47(37)39)53-51(54-50)56-43-24-8-3-15-33(43)34-16-4-9-25-44(34)56/h1-29H
InChIKeyRTVYGYGLJPXEFV-UHFFFAOYSA-N
MW759.89 g/mol
LogP13.67
Rot. Bonds4

About 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole

9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 170373893) has the molecular formula C51H29N5OS and a molecular weight of 759.89 g/mol. Its IUPAC name is 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
PubChem CID170373893
Molecular FormulaC51H29N5OS
Molecular Weight759.89 g/mol
Exact Mass759.21
IUPAC Name9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7ccccc76)ccc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12
InChIInChI=1S/C51H29N5OS/c1-6-22-41-31(13-1)32-14-2-7-23-42(32)55(41)30-27-28-36-38-19-12-21-40(48(38)58-46(36)29-30)50-52-49(39-20-11-18-37-35-17-5-10-26-45(35)57-47(37)39)53-51(54-50)56-43-24-8-3-15-33(43)34-16-4-9-25-44(34)56/h1-29H
InChIKeyRTVYGYGLJPXEFV-UHFFFAOYSA-N
XLogP13.67
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.89
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-(8-carbazol-9-yldibenzofuran-4-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]carbazole
CID 170369945
5-[6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163765583
7-[6-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-5,10-diphenylbenzo[c]carbazole
CID 170412606
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010650
9-[4-(5-carbazol-9-yl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-7-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[7-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-20-oxa-9-thiapentacyclo[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]carbazole;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]carbazole
CID 158164739
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-7-yl]carbazole
CID 146664465
9-[4-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534619
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010999
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]carbazole
CID 169010783

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole (CID 170373893) is 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole is c1ccc2c(c1)oc1c(-c3nc(-c4cccc5c4sc4cc(-n6c7ccccc7c7ccccc76)ccc45)nc(-n4c5ccccc5c5ccccc54)n3)cccc12.
What is the InChIKey of 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The InChIKey is RTVYGYGLJPXEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5OS/c1-6-22-41-31(13-1)32-14-2-7-23-42(32)55(41)30-27-28-36-38-19-12-21-40(48(38)58-46(36)29-30)50-52-49(39-20-11-18-37-35-17-5-10-26-45(35)57-47(37)39)53-51(54-50)56-43-24-8-3-15-33(43)34-16-4-9-25-44(34)56/h1-29H.
What are the key properties of 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 759.89 g/mol, XLogP of 13.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 170373893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).