(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

C49H40N2O — CID 170780206

IUPAC(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCc1cc2c(cc1N(c1ccccc1)c1ccc3c(c1)[C@]1(CCc4ccc(N(c5ccccc5)c5ccccc5)cc41)CC3)oc1cccc(C)c12
InChIInChI=1S/C49H40N2O/c1-33-13-12-20-46-48(33)42-29-34(2)45(32-47(42)52-46)51(39-18-10-5-11-19-39)41-24-22-36-26-28-49(44(36)31-41)27-25-35-21-23-40(30-43(35)49)50(37-14-6-3-7-15-37)38-16-8-4-9-17-38/h3-24,29-32H,25-28H2,1-2H3/t49-/m1/s1
InChIKeyXSZPTJYFXIJAGB-ANFMRNGASA-N
MW672.87 g/mol
LogP13.32
Rot. Bonds6

About (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine

(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (PubChem CID 170780206) has the molecular formula C49H40N2O and a molecular weight of 672.87 g/mol. Its IUPAC name is (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.

Molecular Properties

Compound Name(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
PubChem CID170780206
Molecular FormulaC49H40N2O
Molecular Weight672.87 g/mol
Exact Mass672.31
IUPAC Name(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCc1cc2c(cc1N(c1ccccc1)c1ccc3c(c1)[C@]1(CCc4ccc(N(c5ccccc5)c5ccccc5)cc41)CC3)oc1cccc(C)c12
InChIInChI=1S/C49H40N2O/c1-33-13-12-20-46-48(33)42-29-34(2)45(32-47(42)52-46)51(39-18-10-5-11-19-39)41-24-22-36-26-28-49(44(36)31-41)27-25-35-21-23-40(30-43(35)49)50(37-14-6-3-7-15-37)38-16-8-4-9-17-38/h3-24,29-32H,25-28H2,1-2H3/t49-/m1/s1
InChIKeyXSZPTJYFXIJAGB-ANFMRNGASA-N
XLogP13.32
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine with MolForge

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Related Compounds

(3R)-5-N'-(2-methyldibenzothiophen-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779867
(3R)-5-N-dibenzofuran-3-yl-5-N,5-N'-diphenyl-5-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780080
(3R)-5-N'-dibenzofuran-2-yl-5-N,5-N-diphenyl-5-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780118
(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779845
(3R)-5-N,5-N-diphenyl-5-N',5-N'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780267
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-dibenzofuran-2-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780246
1-N,4-N,4-N-tri(dibenzofuran-3-yl)-2-methyl-1-N-phenylbenzene-1,4-diamine
CID 134471596
4-N-dibenzofuran-3-yl-2-methyl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 134471591
(3R)-5-N'-(9,9-dimethylfluoren-2-yl)-5-N'-naphthalen-1-yl-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780186
(3R)-5-N'-(4-tert-butylphenyl)-5-N,5-N-diphenyl-5-N'-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780133
9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177098554
(3R)-5-N'-(4-cyclohexylphenyl)-5-N'-(5-methyl-9-phenylcarbazol-3-yl)-5-N,5-N-diphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780015

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The IUPAC name of (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (CID 170780206) is (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.
What is the SMILES notation for (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The canonical SMILES for (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is Cc1cc2c(cc1N(c1ccccc1)c1ccc3c(c1)[C@]1(CCc4ccc(N(c5ccccc5)c5ccccc5)cc41)CC3)oc1cccc(C)c12.
What is the InChIKey of (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The InChIKey is XSZPTJYFXIJAGB-ANFMRNGASA-N. The full InChI is InChI=1S/C49H40N2O/c1-33-13-12-20-46-48(33)42-29-34(2)45(32-47(42)52-46)51(39-18-10-5-11-19-39)41-24-22-36-26-28-49(44(36)31-41)27-25-35-21-23-40(30-43(35)49)50(37-14-6-3-7-15-37)38-16-8-4-9-17-38/h3-24,29-32H,25-28H2,1-2H3/t49-/m1/s1.
What are the key properties of (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
(3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine has a molecular weight of 672.87 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N'-(2,9-dimethyldibenzofuran-3-yl)-5-N,5-N,5-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170780206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).