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

C45H28N4O2 — CID 146664755

IUPAC9-[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
SMILESc1ccc(C2=NC(c3ccc4oc5c(ccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-25-38-34(26-29)32-23-24-33-40-37(20-11-21-39(40)51-42(33)41(32)50-38)49-35-18-9-7-16-30(35)31-17-8-10-19-36(31)49/h1-26,43H,(H,46,47,48)
InChIKeyXEZFZGYMTYCXSF-UHFFFAOYSA-N
MW656.75 g/mol
LogP11.08
Rot. Bonds4

About 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

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 (PubChem CID 146664755) has the molecular formula C45H28N4O2 and a molecular weight of 656.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID146664755
Molecular FormulaC45H28N4O2
Molecular Weight656.75 g/mol
Exact Mass656.22
IUPAC Name9-[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
SMILESc1ccc(C2=NC(c3ccc4oc5c(ccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)c4c3)=NC(c3ccccc3)N2)cc1
InChIInChI=1S/C45H28N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-25-38-34(26-29)32-23-24-33-40-37(20-11-21-39(40)51-42(33)41(32)50-38)49-35-18-9-7-16-30(35)31-17-8-10-19-36(31)49/h1-26,43H,(H,46,47,48)
InChIKeyXEZFZGYMTYCXSF-UHFFFAOYSA-N
XLogP11.08
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797
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-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-2-phenylcarbazole
CID 166668278
9-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-3-phenylcarbazole
CID 146395780
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-[8-[8-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 166962098
9-[9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 163754260
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
9-[8-(4-carbazol-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]-4-phenylcarbazole
CID 166961563
2-phenyl-9-[8-[2-phenyl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]carbazole
CID 166961321
5-[3-[7-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155002339

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(C2=NC(c3ccc4oc5c(ccc6c5oc5cccc(-n7c8ccccc8c8ccccc87)c56)c4c3)=NC(c3ccccc3)N2)cc1.
What is the InChIKey of 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?
The InChIKey is XEZFZGYMTYCXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O2/c1-3-12-27(13-4-1)43-46-44(28-14-5-2-6-15-28)48-45(47-43)29-22-25-38-34(26-29)32-23-24-33-40-37(20-11-21-39(40)51-42(33)41(32)50-38)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-[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?
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 has a molecular weight of 656.75 g/mol, XLogP of 11.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146664755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).