(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

C59H47N3 — CID 170780252

IUPAC(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
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c43)c2)cc1
InChIInChI=1S/C59H47N3/c1-6-20-44(21-7-1)47-24-16-33-52(42-47)61(50-29-12-4-13-30-50)55-36-17-22-45-38-40-59(57(45)55)41-39-46-23-18-37-56(58(46)59)62(51-31-14-5-15-32-51)54-35-19-34-53(43-54)60(48-25-8-2-9-26-48)49-27-10-3-11-28-49/h1-37,42-43H,38-41H2/t59-/m1/s1
InChIKeyFDNMNXXTSUWSOO-OBEXFZABSA-N
MW798.05 g/mol
LogP15.94
Rot. Bonds10

About (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

(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 (PubChem CID 170780252) has the molecular formula C59H47N3 and a molecular weight of 798.05 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170780252
Molecular FormulaC59H47N3
Molecular Weight798.05 g/mol
Exact Mass797.38
IUPAC Name(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
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c43)c2)cc1
InChIInChI=1S/C59H47N3/c1-6-20-44(21-7-1)47-24-16-33-52(42-47)61(50-29-12-4-13-30-50)55-36-17-22-45-38-40-59(57(45)55)41-39-46-23-18-37-56(58(46)59)62(51-31-14-5-15-32-51)54-35-19-34-53(43-54)60(48-25-8-2-9-26-48)49-27-10-3-11-28-49/h1-37,42-43H,38-41H2/t59-/m1/s1
InChIKeyFDNMNXXTSUWSOO-OBEXFZABSA-N
XLogP15.94
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.05
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Related Compounds

(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',4-N'-diphenyl-4-N-(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170780189
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
(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
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
(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
5,5,8,8-tetramethyl-N-phenyl-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-6,7-dihydronaphthalen-1-amine
CID 170222900
(3R)-5-N,5-N-diphenyl-5-N',5-N'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780267
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is c1ccc(-c2cccc(N(c3ccccc3)c3cccc4c3[C@@]3(CC4)CCc4cccc(N(c5ccccc5)c5cccc(N(c6ccccc6)c6ccccc6)c5)c43)c2)cc1.
What is the InChIKey of (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?
The InChIKey is FDNMNXXTSUWSOO-OBEXFZABSA-N. The full InChI is InChI=1S/C59H47N3/c1-6-20-44(21-7-1)47-24-16-33-52(42-47)61(50-29-12-4-13-30-50)55-36-17-22-45-38-40-59(57(45)55)41-39-46-23-18-37-56(58(46)59)62(51-31-14-5-15-32-51)54-35-19-34-53(43-54)60(48-25-8-2-9-26-48)49-27-10-3-11-28-49/h1-37,42-43H,38-41H2/t59-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 798.05 g/mol, XLogP of 15.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170780252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).