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

C51H36N4O2 — CID 166962294

IUPAC9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3cccc4oc5ccc(-c6cccc7oc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)cc5c34)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-13-26-44-47(38)39-30-33(28-29-43(39)56-44)34-20-12-27-45-46(34)37-21-11-25-42(48(37)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-30,49-54H
InChIKeyPVHURPUAQWHOGQ-UHFFFAOYSA-N
MW736.88 g/mol
LogP12.43
Rot. Bonds5

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

9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 166962294) has the molecular formula C51H36N4O2 and a molecular weight of 736.88 g/mol. Its IUPAC name is 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID166962294
Molecular FormulaC51H36N4O2
Molecular Weight736.88 g/mol
Exact Mass736.28
IUPAC Name9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3cccc4oc5ccc(-c6cccc7oc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)cc5c34)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-13-26-44-47(38)39-30-33(28-29-43(39)56-44)34-20-12-27-45-46(34)37-21-11-25-42(48(37)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-30,49-54H
InChIKeyPVHURPUAQWHOGQ-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

9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
9-[9-[1-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 166744433
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
9-[9-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]carbazole
CID 166961329
9-(8-dibenzofuran-1-yldibenzofuran-4-yl)carbazole;2-dibenzofuran-1-yl-6-methyldibenzofuran;9H-fluorene
CID 162091058
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
3-dibenzofuran-2-yl-9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)carbazole
CID 146647920
2-dibenzofuran-3-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541695
9-[9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 167200797

Frequently Asked Questions

What is the IUPAC name of 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole (CID 166962294) is 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole is c1ccc(C2NC(c3ccccc3)NC(c3cccc4oc5ccc(-c6cccc7oc8c(-n9c%10ccccc%10c%10ccccc%109)cccc8c67)cc5c34)N2)cc1.
What is the InChIKey of 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is PVHURPUAQWHOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)38-22-13-26-44-47(38)39-30-33(28-29-43(39)56-44)34-20-12-27-45-46(34)37-21-11-25-42(48(37)57-45)55-40-23-9-7-18-35(40)36-19-8-10-24-41(36)55/h1-30,49-54H.
What are the key properties of 9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole?
9-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-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-[9-[9-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 166962294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).