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

C45H28N4OS — CID 146665133

IUPAC9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cc5sc6cccc(-n7c8ccccc8c8ccccc87)c6c5cc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-32-33-25-34-41(26-39(33)50-38(32)24-29)51-40-21-11-20-37(42(34)40)49-35-18-9-7-16-30(35)31-17-8-10-19-36(31)49/h1-26,43H,(H,46,47,48)
InChIKeyYAHAEQCRVDGHET-UHFFFAOYSA-N
MW672.81 g/mol
LogP11.55
Rot. Bonds4

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

9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole (PubChem CID 146665133) has the molecular formula C45H28N4OS and a molecular weight of 672.81 g/mol. Its IUPAC name is 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole.

Molecular Properties

Compound Name9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
PubChem CID146665133
Molecular FormulaC45H28N4OS
Molecular Weight672.81 g/mol
Exact Mass672.20
IUPAC Name9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cc5sc6cccc(-n7c8ccccc8c8ccccc87)c6c5cc34)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4OS/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-32-33-25-34-41(26-39(33)50-38(32)24-29)51-40-21-11-20-37(42(34)40)49-35-18-9-7-16-30(35)31-17-8-10-19-36(31)49/h1-26,43H,(H,46,47,48)
InChIKeyYAHAEQCRVDGHET-UHFFFAOYSA-N
XLogP11.55
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.81
LogP ≤ 511.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
9-[16-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaen-8-yl]carbazole
CID 146664755
9-[7-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
12-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 166668224
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-[7-[9-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzofuran-3-yl]carbazole
CID 163906905
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
9-[17-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-10,14-dioxapentacyclo[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]-2-phenylcarbazole
CID 146665085
5-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 166668347
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
25-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 145268764

Frequently Asked Questions

What is the IUPAC name of 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole?
The IUPAC name of 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole (CID 146665133) is 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole.
What is the SMILES notation for 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole?
The canonical SMILES for 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole is c1ccc(C2=NC(c3ccc4c(c3)oc3cc5sc6cccc(-n7c8ccccc8c8ccccc87)c6c5cc34)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole?
The InChIKey is YAHAEQCRVDGHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4OS/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-23-32-33-25-34-41(26-39(33)50-38(32)24-29)51-40-21-11-20-37(42(34)40)49-35-18-9-7-16-30(35)31-17-8-10-19-36(31)49/h1-26,43H,(H,46,47,48).
What are the key properties of 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole?
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole has a molecular weight of 672.81 g/mol, XLogP of 11.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-19-yl]carbazole is sourced from PubChem (CID 146665133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).