9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole

C51H32N4O2 — CID 146664722

IUPAC9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4oc5c(cc(-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c65)c4c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4O2/c1-4-14-31(15-5-1)39-30-41-40-28-34(51-53-49(32-16-6-2-7-17-32)52-50(54-51)33-18-8-3-9-19-33)24-27-44(40)56-48(41)46-38-26-25-35(29-45(38)57-47(39)46)55-42-22-12-10-20-36(42)37-21-11-13-23-43(37)55/h1-30,51H,(H,52,53,54)
InChIKeyGRZCSRKWGGRQQR-UHFFFAOYSA-N
MW732.84 g/mol
LogP12.74
Rot. Bonds5

About 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole

9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole (PubChem CID 146664722) has the molecular formula C51H32N4O2 and a molecular weight of 732.84 g/mol. Its IUPAC name is 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole.

Molecular Properties

Compound Name9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
PubChem CID146664722
Molecular FormulaC51H32N4O2
Molecular Weight732.84 g/mol
Exact Mass732.25
IUPAC Name9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole
SMILESc1ccc(C2=NC(c3ccc4oc5c(cc(-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c65)c4c3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H32N4O2/c1-4-14-31(15-5-1)39-30-41-40-28-34(51-53-49(32-16-6-2-7-17-32)52-50(54-51)33-18-8-3-9-19-33)24-27-44(40)56-48(41)46-38-26-25-35(29-45(38)57-47(39)46)55-42-22-12-10-20-36(42)37-21-11-13-23-43(37)55/h1-30,51H,(H,52,53,54)
InChIKeyGRZCSRKWGGRQQR-UHFFFAOYSA-N
XLogP12.74
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.84
LogP ≤ 512.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole with MolForge

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Related Compounds

9-[5-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-(1-phenylcarbazol-9-yl)carbazole
CID 170097253
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-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyldibenzofuran-3-yl]-3-phenylcarbazole
CID 163680137
7-carbazol-9-yl-1-[2-(4-naphthalen-1-ylphenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl]-[1]benzofuro[3,2-c]pyridine
CID 172508108
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
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-1-yl]dibenzofuran-3-yl]carbazole
CID 166962153
12-[4-[6-dibenzofuran-3-yl-2-(9-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 162363400
2-[2-dibenzofuran-3-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164975374
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
3-[9-[9-[4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137218561
9-[7-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-3-phenylcarbazole
CID 166961445
2-dibenzofuran-1-yl-9-[3-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 163852611

Frequently Asked Questions

What is the IUPAC name of 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole?
The IUPAC name of 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole (CID 146664722) is 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole.
What is the SMILES notation for 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole?
The canonical SMILES for 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole is c1ccc(C2=NC(c3ccc4oc5c(cc(-c6ccccc6)c6oc7cc(-n8c9ccccc9c9ccccc98)ccc7c65)c4c3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole?
The InChIKey is GRZCSRKWGGRQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O2/c1-4-14-31(15-5-1)39-30-41-40-28-34(51-53-49(32-16-6-2-7-17-32)52-50(54-51)33-18-8-3-9-19-33)24-27-44(40)56-48(41)46-38-26-25-35(29-45(38)57-47(39)46)55-42-22-12-10-20-36(42)37-21-11-13-23-43(37)55/h1-30,51H,(H,52,53,54).
What are the key properties of 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole?
9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole has a molecular weight of 732.84 g/mol, XLogP of 12.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[16-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)-11-phenyl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3(8),4,6,10,12,14(19),15,17-nonaen-6-yl]carbazole is sourced from PubChem (CID 146664722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).