9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole

C51H50N4O — CID 171596949

IUPAC9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C5CCC6C(C5)OC5CC(C7NC(c8ccccc8)NC(c8ccccc8)N7)CCC56)cc4)c3c2)cc1
InChIInChI=1S/C51H50N4O/c1-4-12-33(13-5-1)37-22-27-42-41-18-10-11-19-45(41)55(46(42)30-37)40-25-20-34(21-26-40)38-23-28-43-44-29-24-39(32-48(44)56-47(43)31-38)51-53-49(35-14-6-2-7-15-35)52-50(54-51)36-16-8-3-9-17-36/h1-22,25-27,30,38-39,43-44,47-54H,23-24,28-29,31-32H2
InChIKeyRAUXYBJLTGAYES-UHFFFAOYSA-N
MW734.99 g/mol
LogP11.02
Rot. Bonds6

About 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole

9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole (PubChem CID 171596949) has the molecular formula C51H50N4O and a molecular weight of 734.99 g/mol. Its IUPAC name is 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole
PubChem CID171596949
Molecular FormulaC51H50N4O
Molecular Weight734.99 g/mol
Exact Mass734.40
IUPAC Name9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(C5CCC6C(C5)OC5CC(C7NC(c8ccccc8)NC(c8ccccc8)N7)CCC56)cc4)c3c2)cc1
InChIInChI=1S/C51H50N4O/c1-4-12-33(13-5-1)37-22-27-42-41-18-10-11-19-45(41)55(46(42)30-37)40-25-20-34(21-26-40)38-23-28-43-44-29-24-39(32-48(44)56-47(43)31-38)51-53-49(35-14-6-2-7-15-35)52-50(54-51)36-16-8-3-9-17-36/h1-22,25-27,30,38-39,43-44,47-54H,23-24,28-29,31-32H2
InChIKeyRAUXYBJLTGAYES-UHFFFAOYSA-N
XLogP11.02
TPSA50.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 511.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole with MolForge

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Related Compounds

2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]-9-phenylcarbazole
CID 170061394
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 155241336
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407

Frequently Asked Questions

What is the IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole?
The IUPAC name of 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole (CID 171596949) is 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole.
What is the SMILES notation for 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole?
The canonical SMILES for 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(C5CCC6C(C5)OC5CC(C7NC(c8ccccc8)NC(c8ccccc8)N7)CCC56)cc4)c3c2)cc1.
What is the InChIKey of 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole?
The InChIKey is RAUXYBJLTGAYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N4O/c1-4-12-33(13-5-1)37-22-27-42-41-18-10-11-19-45(41)55(46(42)30-37)40-25-20-34(21-26-40)38-23-28-43-44-29-24-39(32-48(44)56-47(43)31-38)51-53-49(35-14-6-2-7-15-35)52-50(54-51)36-16-8-3-9-17-36/h1-22,25-27,30,38-39,43-44,47-54H,23-24,28-29,31-32H2.
What are the key properties of 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole?
9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole has a molecular weight of 734.99 g/mol, XLogP of 11.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[7-(4,6-diphenyl-1,3,5-triazinan-2-yl)-1,2,3,4,4a,5a,6,7,8,9,9a,9b-dodecahydrodibenzofuran-3-yl]phenyl]-2-phenylcarbazole is sourced from PubChem (CID 171596949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).