5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole

C51H28N4O2S — CID 146259022

IUPAC5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)oc3c(-n4c5ccccc5c5c7sc8ccccc8c7ccc54)cccc36)n2)cc1
InChIInChI=1S/C51H28N4O2S/c1-3-13-29(14-4-1)49-52-50(30-15-5-2-6-16-30)54-51(53-49)35-20-12-23-41-45(35)37-28-42-36(27-43(37)56-41)32-19-11-22-40(47(32)57-42)55-38-21-9-7-18-34(38)46-39(55)26-25-33-31-17-8-10-24-44(31)58-48(33)46/h1-28H
InChIKeyKXHYOHSRPBACOX-UHFFFAOYSA-N
MW760.88 g/mol
LogP14.14
Rot. Bonds4

About 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole

5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole (PubChem CID 146259022) has the molecular formula C51H28N4O2S and a molecular weight of 760.88 g/mol. Its IUPAC name is 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
PubChem CID146259022
Molecular FormulaC51H28N4O2S
Molecular Weight760.88 g/mol
Exact Mass760.19
IUPAC Name5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)oc3c(-n4c5ccccc5c5c7sc8ccccc8c7ccc54)cccc36)n2)cc1
InChIInChI=1S/C51H28N4O2S/c1-3-13-29(14-4-1)49-52-50(30-15-5-2-6-16-30)54-51(53-49)35-20-12-23-41-45(35)37-28-42-36(27-43(37)56-41)32-19-11-22-40(47(32)57-42)55-38-21-9-7-18-34(38)46-39(55)26-25-33-31-17-8-10-24-44(31)58-48(33)46/h1-28H
InChIKeyKXHYOHSRPBACOX-UHFFFAOYSA-N
XLogP14.14
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.88
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155158734
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-c]carbazole
CID 130231214
5-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole;5-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 158212770
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole;5-phenyl-2-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 161435526
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-[1]benzothiolo[3,2-c]carbazole
CID 167562279
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-c]carbazole
CID 147409157
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]carbazole
CID 169011347
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
CID 169010894
5-[7-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155365137
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-5-yl]carbazole
CID 146258992
9-dibenzofuran-4-yl-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]carbazole
CID 154601825
4-phenyl-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146335946

Frequently Asked Questions

What is the IUPAC name of 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole (CID 146259022) is 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc6c(cc5c34)oc3c(-n4c5ccccc5c5c7sc8ccccc8c7ccc54)cccc36)n2)cc1.
What is the InChIKey of 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is KXHYOHSRPBACOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N4O2S/c1-3-13-29(14-4-1)49-52-50(30-15-5-2-6-16-30)54-51(53-49)35-20-12-23-41-45(35)37-28-42-36(27-43(37)56-41)32-19-11-22-40(47(32)57-42)55-38-21-9-7-18-34(38)46-39(55)26-25-33-31-17-8-10-24-44(31)58-48(33)46/h1-28H.
What are the key properties of 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole?
5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 760.88 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-8-yl]-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 146259022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).