(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

C33H28N2 — CID 170779967

IUPAC(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(Nc2cccc3c2[C@@]2(CC3)CCc3cccc(Nc4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C33H28N2/c1-2-12-27(13-3-1)34-29-14-6-10-24-18-20-33(31(24)29)21-19-25-11-7-15-30(32(25)33)35-28-17-16-23-8-4-5-9-26(23)22-28/h1-17,22,34-35H,18-21H2/t33-/m1/s1
InChIKeyKJFPBDCUGJGVAV-MGBGTMOVSA-N
MW452.60 g/mol
LogP8.51
Rot. Bonds4

About (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (PubChem CID 170779967) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.

Molecular Properties

Compound Name(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
PubChem CID170779967
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(Nc2cccc3c2[C@@]2(CC3)CCc3cccc(Nc4ccc5ccccc5c4)c32)cc1
InChIInChI=1S/C33H28N2/c1-2-12-27(13-3-1)34-29-14-6-10-24-18-20-33(31(24)29)21-19-25-11-7-15-30(32(25)33)35-28-17-16-23-8-4-5-9-26(23)22-28/h1-17,22,34-35H,18-21H2/t33-/m1/s1
InChIKeyKJFPBDCUGJGVAV-MGBGTMOVSA-N
XLogP8.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780189
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
2-N,6-N-diphenylnaphthalene-2,6-diamine
CID 12541294
9,9-dimethyl-N-naphthalen-2-ylfluoren-4-amine
CID 118462698
4,5-dimethyl-1-N,2-N-dinaphthalen-2-ylbenzene-1,2-diamine
CID 121372627
nonane;N-phenylnaphthalen-2-amine
CID 159912384
1-N-ethyl-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 21321128
N-phenyl-9,10-dihydropyren-1-amine
CID 163541259
N-pentacen-2-ylpentacen-2-amine
CID 91227915
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977
2-N-(9H-fluoren-2-yl)-1-N-phenylbenzene-1,2-diamine
CID 139983188
3,3-dimethyl-N-naphthalen-2-yl-2-phenylindol-7-amine
CID 164912107

Frequently Asked Questions

What is the IUPAC name of (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The IUPAC name of (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (CID 170779967) is (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.
What is the SMILES notation for (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The canonical SMILES for (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is c1ccc(Nc2cccc3c2[C@@]2(CC3)CCc3cccc(Nc4ccc5ccccc5c4)c32)cc1.
What is the InChIKey of (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The InChIKey is KJFPBDCUGJGVAV-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H28N2/c1-2-12-27(13-3-1)34-29-14-6-10-24-18-20-33(31(24)29)21-19-25-11-7-15-30(32(25)33)35-28-17-16-23-8-4-5-9-26(23)22-28/h1-17,22,34-35H,18-21H2/t33-/m1/s1.
What are the key properties of (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
(3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine has a molecular weight of 452.60 g/mol, XLogP of 8.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-N'-naphthalen-2-yl-4-N-phenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is sourced from PubChem (CID 170779967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).