9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole

C51H36N4O2 — CID 163467703

IUPAC9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4oc5cccc(-c6cccc7c6oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c4c3)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-28-44-41(29-33)47-38(19-12-24-45(47)56-44)40-21-11-20-39-37-27-26-34(30-46(37)57-48(39)40)55-42-22-9-7-17-35(42)36-18-8-10-23-43(36)55/h1-30,49-54H
InChIKeyBTZVSVHALOUIHJ-UHFFFAOYSA-N
MW736.88 g/mol
LogP12.43
Rot. Bonds5

About 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole

9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole (PubChem CID 163467703) has the molecular formula C51H36N4O2 and a molecular weight of 736.88 g/mol. Its IUPAC name is 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
PubChem CID163467703
Molecular FormulaC51H36N4O2
Molecular Weight736.88 g/mol
Exact Mass736.28
IUPAC Name9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4oc5cccc(-c6cccc7c6oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c4c3)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-28-44-41(29-33)47-38(19-12-24-45(47)56-44)40-21-11-20-39-37-27-26-34(30-46(37)57-48(39)40)55-42-22-9-7-17-35(42)36-18-8-10-23-43(36)55/h1-30,49-54H
InChIKeyBTZVSVHALOUIHJ-UHFFFAOYSA-N
XLogP12.43
TPSA67.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.88
LogP ≤ 512.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-2-yl-4-(9-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazinane
CID 146541813
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633
12-(9-dibenzofuran-4-yldibenzofuran-3-yl)-11-phenylindolo[2,3-a]carbazole
CID 170688597
9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 163867295
9-[6-[8-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzofuran-2-yl]carbazole
CID 163673549
3-[4-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazinan-2-yl]benzonitrile
CID 145085605
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
2-(7-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazinane
CID 171597125
9-dibenzofuran-3-yl-3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinan-2-yl)carbazole
CID 163880691
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075
9-(6-carbazol-9-yldibenzofuran-1-yl)carbazole;9-(7-carbazol-9-yldibenzofuran-2-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-1-yl)carbazole;9-[2-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]carbazole
CID 159764612
11-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-15-phenyl-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 126678107

Frequently Asked Questions

What is the IUPAC name of 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole (CID 163467703) is 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole is c1ccc(C2NC(c3ccccc3)NC(c3ccc4oc5cccc(-c6cccc7c6oc6cc(-n8c9ccccc9c9ccccc98)ccc67)c5c4c3)N2)cc1.
What is the InChIKey of 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is BTZVSVHALOUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O2/c1-3-13-31(14-4-1)49-52-50(32-15-5-2-6-16-32)54-51(53-49)33-25-28-44-41(29-33)47-38(19-12-24-45(47)56-44)40-21-11-20-39-37-27-26-34(30-46(37)57-48(39)40)55-42-22-9-7-17-35(42)36-18-8-10-23-43(36)55/h1-30,49-54H.
What are the key properties of 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole?
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 736.88 g/mol, XLogP of 12.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 163467703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).