9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole

C45H30N4S2 — CID 146664344

IUPAC9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c34)N2)cc1
InChIInChI=1S/C45H30N4S2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)32-18-11-21-39-42(32)35-25-34-33-24-29(22-23-38(33)50-40(34)26-41(35)51-39)49-36-19-9-7-16-30(36)31-17-8-10-20-37(31)49/h1-26,43,45,47H,(H,46,48)
InChIKeyCHUCCOTVNHMIBS-UHFFFAOYSA-N
MW690.90 g/mol
LogP11.86
Rot. Bonds4

About 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole

9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole (PubChem CID 146664344) has the molecular formula C45H30N4S2 and a molecular weight of 690.90 g/mol. Its IUPAC name is 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole.

Molecular Properties

Compound Name9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
PubChem CID146664344
Molecular FormulaC45H30N4S2
Molecular Weight690.90 g/mol
Exact Mass690.19
IUPAC Name9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c34)N2)cc1
InChIInChI=1S/C45H30N4S2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)32-18-11-21-39-42(32)35-25-34-33-24-29(22-23-38(33)50-40(34)26-41(35)51-39)49-36-19-9-7-16-30(36)31-17-8-10-20-37(31)49/h1-26,43,45,47H,(H,46,48)
InChIKeyCHUCCOTVNHMIBS-UHFFFAOYSA-N
XLogP11.86
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.90
LogP ≤ 511.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole with MolForge

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Related Compounds

9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962590
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-2-yl]carbazole
CID 166962389
9-[8-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]carbazole
CID 166961997
9-[9-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-1-yl]carbazole
CID 166962280
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
9-[17-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole
CID 146664251
9-[8-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-3-yl]carbazole
CID 166962316
9-[9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzothiophen-1-yl]dibenzofuran-2-yl]carbazole
CID 166962264
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 166962552
9-dibenzothiophen-2-yl-2-[2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,2-dihydro-1,3,5-triazin-4-yl]carbazole
CID 139555379
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378

Frequently Asked Questions

What is the IUPAC name of 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole?
The IUPAC name of 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole (CID 146664344) is 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole.
What is the SMILES notation for 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole?
The canonical SMILES for 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4sc5cc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6cc5c34)N2)cc1.
What is the InChIKey of 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole?
The InChIKey is CHUCCOTVNHMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4S2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)32-18-11-21-39-42(32)35-25-34-33-24-29(22-23-38(33)50-40(34)26-41(35)51-39)49-36-19-9-7-16-30(36)31-17-8-10-20-37(31)49/h1-26,43,45,47H,(H,46,48).
What are the key properties of 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole?
9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole has a molecular weight of 690.90 g/mol, XLogP of 11.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[19-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl]carbazole is sourced from PubChem (CID 146664344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).