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

C45H26N4S2 — CID 174170327

IUPAC9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1
InChIInChI=1S/C45H26N4S2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-17-32-31-16-6-9-22-38(31)51-42(32)35)34-18-11-23-39-41(34)33-25-24-28(26-40(33)50-39)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeyVPQJKOZWMMUIGR-UHFFFAOYSA-N
MW686.87 g/mol
LogP12.71
Rot. Bonds4

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

9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole (PubChem CID 174170327) has the molecular formula C45H26N4S2 and a molecular weight of 686.87 g/mol. Its IUPAC name is 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
PubChem CID174170327
Molecular FormulaC45H26N4S2
Molecular Weight686.87 g/mol
Exact Mass686.16
IUPAC Name9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1
InChIInChI=1S/C45H26N4S2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-17-32-31-16-6-9-22-38(31)51-42(32)35)34-18-11-23-39-41(34)33-25-24-28(26-40(33)50-39)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H
InChIKeyVPQJKOZWMMUIGR-UHFFFAOYSA-N
XLogP12.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.87
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169010620
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(19),15,17-nonaen-17-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]carbazole;9-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-yl]carbazole
CID 163686605
9-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 169059405
4-(4-dibenzothiophen-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 170534565
9-[16-(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(19),15,17-nonaen-6-yl]carbazole
CID 146664398
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-3-yl]carbazole
CID 169011469
11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164779105
14-[3-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 156552099
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-2-yl]carbazole
CID 169010773
2-dibenzothiophen-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(4-phenylphenyl)phenyl]carbazole
CID 163810171
5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]benzo[b]carbazole
CID 170412427

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The IUPAC name of 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole (CID 174170327) is 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole.
What is the SMILES notation for 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The canonical SMILES for 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1.
What is the InChIKey of 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
The InChIKey is VPQJKOZWMMUIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4S2/c1-2-12-27(13-3-1)43-46-44(48-45(47-43)35-19-10-17-32-31-16-6-9-22-38(31)51-42(32)35)34-18-11-23-39-41(34)33-25-24-28(26-40(33)50-39)49-36-20-7-4-14-29(36)30-15-5-8-21-37(30)49/h1-26H.
What are the key properties of 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole?
9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole has a molecular weight of 686.87 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]carbazole is sourced from PubChem (CID 174170327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).