9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole

C51H36N4O2 — CID 163867295

IUPAC9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-n7c8ccccc8c8ccccc87)cc56)cc34)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-39-41-27-33(21-25-45(41)56-48(39)29-35)34-19-23-40-42-30-36(22-26-46(42)57-47(40)28-34)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30,49-54H
InChIKeyDACXTSXXDTZJGS-UHFFFAOYSA-N
MW736.88 g/mol
LogP12.43
Rot. Bonds5

About 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole

9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 163867295) has the molecular formula C51H36N4O2 and a molecular weight of 736.88 g/mol. Its IUPAC name is 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID163867295
Molecular FormulaC51H36N4O2
Molecular Weight736.88 g/mol
Exact Mass736.28
IUPAC Name9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESc1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-n7c8ccccc8c8ccccc87)cc56)cc34)N2)cc1
InChIInChI=1S/C51H36N4O2/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-39-41-27-33(21-25-45(41)56-48(39)29-35)34-19-23-40-42-30-36(22-26-46(42)57-47(40)28-34)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30,49-54H
InChIKeyDACXTSXXDTZJGS-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

3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[6-[8-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 163467703
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (CID 163867295) is 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is c1ccc(C2NC(c3ccccc3)NC(c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)oc5ccc(-n7c8ccccc8c8ccccc87)cc56)cc34)N2)cc1.
What is the InChIKey of 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is DACXTSXXDTZJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4O2/c1-3-11-31(12-4-1)49-52-50(32-13-5-2-6-14-32)54-51(53-49)35-20-24-39-41-27-33(21-25-45(41)56-48(39)29-35)34-19-23-40-42-30-36(22-26-46(42)57-47(40)28-34)55-43-17-9-7-15-37(43)38-16-8-10-18-44(38)55/h1-30,49-54H.
What are the key properties of 9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
9-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-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-[7-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 163867295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).