(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

C41H34N2 — CID 170780189

IUPAC(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(-c2ccc(Nc3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C41H34N2/c1-4-12-30(13-5-1)31-22-24-34(25-23-31)42-37-20-10-14-32-26-28-41(39(32)37)29-27-33-15-11-21-38(40(33)41)43(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-25,42H,26-29H2/t41-/m1/s1
InChIKeyGTGKZMKYXJKMDK-VQJSHJPSSA-N
MW554.74 g/mol
LogP10.75
Rot. Bonds6

About (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine

(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (PubChem CID 170780189) has the molecular formula C41H34N2 and a molecular weight of 554.74 g/mol. Its IUPAC name is (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.

Molecular Properties

Compound Name(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
PubChem CID170780189
Molecular FormulaC41H34N2
Molecular Weight554.74 g/mol
Exact Mass554.27
IUPAC Name(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
SMILESc1ccc(-c2ccc(Nc3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C41H34N2/c1-4-12-30(13-5-1)31-22-24-34(25-23-31)42-37-20-10-14-32-26-28-41(39(32)37)29-27-33-15-11-21-38(40(33)41)43(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-25,42H,26-29H2/t41-/m1/s1
InChIKeyGTGKZMKYXJKMDK-VQJSHJPSSA-N
XLogP10.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 510.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-N,4-N'-diphenyl-4-N'-[3-(N-phenylanilino)phenyl]-4-N-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780252
(3R)-4-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N'-diphenyl-4-N'-(3-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780003
(3R)-4-N'-(5,9-diphenylcarbazol-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780272
2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
(3R)-4-N-dibenzothiophen-3-yl-4-N,4-N'-diphenyl-4-N'-(2-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780214
1-N,2-N-bis[2-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 164772262
N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
CID 67787000
(3R)-4-N,4-N,4-N'-triphenyl-4-N'-(4,9,9-trimethylfluoren-3-yl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780034
4-N-[4-(4-anilinophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 127255463
(3R)-5-N,5-N-diphenyl-5-N',5-N'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780267
(8R)-1-N'-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-1-N'-(2-phenylphenyl)-8,8'-spirobi[6,7-dihydro-5H-naphthalene]-1,1'-diamine
CID 170780056

Frequently Asked Questions

What is the IUPAC name of (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The IUPAC name of (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine (CID 170780189) is (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine.
What is the SMILES notation for (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The canonical SMILES for (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is c1ccc(-c2ccc(Nc3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5ccccc5)c43)cc2)cc1.
What is the InChIKey of (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
The InChIKey is GTGKZMKYXJKMDK-VQJSHJPSSA-N. The full InChI is InChI=1S/C41H34N2/c1-4-12-30(13-5-1)31-22-24-34(25-23-31)42-37-20-10-14-32-26-28-41(39(32)37)29-27-33-15-11-21-38(40(33)41)43(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-25,42H,26-29H2/t41-/m1/s1.
What are the key properties of (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine?
(3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine has a molecular weight of 554.74 g/mol, XLogP of 10.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-N',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine is sourced from PubChem (CID 170780189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).