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

C56H47N3 — CID 170780276

IUPAC(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCC(C)c1cc2c3ccccc3n(-c3ccccc3)c2cc1N(c1ccccc1)c1ccc2c(c1)[C@]1(CCc3ccc(N(c4ccccc4)c4ccccc4)cc31)CC2
InChIInChI=1S/C56H47N3/c1-39(2)49-37-50-48-25-15-16-26-53(48)59(45-23-13-6-14-24-45)55(50)38-54(49)58(44-21-11-5-12-22-44)47-30-28-41-32-34-56(52(41)36-47)33-31-40-27-29-46(35-51(40)56)57(42-17-7-3-8-18-42)43-19-9-4-10-20-43/h3-30,35-39H,31-34H2,1-2H3/t56-/m1/s1
InChIKeyZUPLGBOOESTPTB-LXXIDKMWSA-N
MW762.01 g/mol
LogP15.03
Rot. Bonds8

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

(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (PubChem CID 170780276) has the molecular formula C56H47N3 and a molecular weight of 762.01 g/mol. Its IUPAC name is (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.

Molecular Properties

Compound Name(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
PubChem CID170780276
Molecular FormulaC56H47N3
Molecular Weight762.01 g/mol
Exact Mass761.38
IUPAC Name(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
SMILESCC(C)c1cc2c3ccccc3n(-c3ccccc3)c2cc1N(c1ccccc1)c1ccc2c(c1)[C@]1(CCc3ccc(N(c4ccccc4)c4ccccc4)cc31)CC2
InChIInChI=1S/C56H47N3/c1-39(2)49-37-50-48-25-15-16-26-53(48)59(45-23-13-6-14-24-45)55(50)38-54(49)58(44-21-11-5-12-22-44)47-30-28-41-32-34-56(52(41)36-47)33-31-40-27-29-46(35-51(40)56)57(42-17-7-3-8-18-42)43-19-9-4-10-20-43/h3-30,35-39H,31-34H2,1-2H3/t56-/m1/s1
InChIKeyZUPLGBOOESTPTB-LXXIDKMWSA-N
XLogP15.03
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(1-propan-2-yldibenzothiophen-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779857
(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
9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 71038312
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 71038279
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
(3R)-5-N,5-N-diphenyl-5-N',5-N'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780267
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725

Frequently Asked Questions

What is the IUPAC name of (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The IUPAC name of (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine (CID 170780276) is (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine.
What is the SMILES notation for (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The canonical SMILES for (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is CC(C)c1cc2c3ccccc3n(-c3ccccc3)c2cc1N(c1ccccc1)c1ccc2c(c1)[C@]1(CCc3ccc(N(c4ccccc4)c4ccccc4)cc31)CC2.
What is the InChIKey of (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
The InChIKey is ZUPLGBOOESTPTB-LXXIDKMWSA-N. The full InChI is InChI=1S/C56H47N3/c1-39(2)49-37-50-48-25-15-16-26-53(48)59(45-23-13-6-14-24-45)55(50)38-54(49)58(44-21-11-5-12-22-44)47-30-28-41-32-34-56(52(41)36-47)33-31-40-27-29-46(35-51(40)56)57(42-17-7-3-8-18-42)43-19-9-4-10-20-43/h3-30,35-39H,31-34H2,1-2H3/t56-/m1/s1.
What are the key properties of (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine?
(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine has a molecular weight of 762.01 g/mol, XLogP of 15.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-N,5-N,5-N'-triphenyl-5-N'-(9-phenyl-3-propan-2-ylcarbazol-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170780276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).