9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole

C45H26N4OS — CID 146664228

IUPAC9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(ccc6c7ccc(-n8c9ccccc9c9ccccc98)cc7sc65)c4c3)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-19-24-39-36(25-29)34-22-23-35-33-21-20-30(26-40(33)51-42(35)41(34)50-39)49-37-17-9-7-15-31(37)32-16-8-10-18-38(32)49/h1-26H
InChIKeyCDASLIAFRIPGRA-UHFFFAOYSA-N
MW670.80 g/mol
LogP12.24
Rot. Bonds4

About 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole (PubChem CID 146664228) has the molecular formula C45H26N4OS and a molecular weight of 670.80 g/mol. Its IUPAC name is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole.

Molecular Properties

Compound Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole
PubChem CID146664228
Molecular FormulaC45H26N4OS
Molecular Weight670.80 g/mol
Exact Mass670.18
IUPAC Name9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(ccc6c7ccc(-n8c9ccccc9c9ccccc98)cc7sc65)c4c3)n2)cc1
InChIInChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-19-24-39-36(25-29)34-22-23-35-33-21-20-30(26-40(33)51-42(35)41(34)50-39)49-37-17-9-7-15-31(37)32-16-8-10-18-38(32)49/h1-26H
InChIKeyCDASLIAFRIPGRA-UHFFFAOYSA-N
XLogP12.24
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole with MolForge

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Related Compounds

9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169010999
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011085
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-2-yl]carbazole
CID 169011470
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzofuran-2-yl]carbazole
CID 169011618
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-4-yl]carbazole
CID 169010894
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 169011262
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-2-yl]carbazole
CID 169010720
9-[8-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011633
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]carbazole
CID 169010783
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]carbazole
CID 166953184
3-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 158230973

Frequently Asked Questions

What is the IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole?
The IUPAC name of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole (CID 146664228) is 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole.
What is the SMILES notation for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole?
The canonical SMILES for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(ccc6c7ccc(-n8c9ccccc9c9ccccc98)cc7sc65)c4c3)n2)cc1.
What is the InChIKey of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole?
The InChIKey is CDASLIAFRIPGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N4OS/c1-3-11-27(12-4-1)43-46-44(28-13-5-2-6-14-28)48-45(47-43)29-19-24-39-36(25-29)34-22-23-35-33-21-20-30(26-40(33)51-42(35)41(34)50-39)49-37-17-9-7-15-31(37)32-16-8-10-18-38(32)49/h1-26H.
What are the key properties of 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole?
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole has a molecular weight of 670.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-17-yl]carbazole is sourced from PubChem (CID 146664228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).