(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

C51H44N2 — CID 170780034

IUPAC(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
SMILESCc1c(N(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(N(c5ccccc5)c5ccccc5)c42)CC3)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C51H44N2/c1-35-44(30-29-43-47(35)41-25-13-14-26-42(41)50(43,2)3)53(40-23-11-6-12-24-40)46-28-16-18-37-32-34-51(49(37)46)33-31-36-17-15-27-45(48(36)51)52(38-19-7-4-8-20-38)39-21-9-5-10-22-39/h4-30H,31-34H2,1-3H3/t51-/m1/s1
InChIKeyIUNVTAZQNAJVFB-NLXJDERGSA-N
MW684.93 g/mol
LogP13.42
Rot. Bonds6

About (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

(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 (PubChem CID 170780034) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170780034
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name(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
SMILESCc1c(N(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(N(c5ccccc5)c5ccccc5)c42)CC3)ccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C51H44N2/c1-35-44(30-29-43-47(35)41-25-13-14-26-42(41)50(43,2)3)53(40-23-11-6-12-24-40)46-28-16-18-37-32-34-51(49(37)46)33-31-36-17-15-27-45(48(36)51)52(38-19-7-4-8-20-38)39-21-9-5-10-22-39/h4-30H,31-34H2,1-3H3/t51-/m1/s1
InChIKeyIUNVTAZQNAJVFB-NLXJDERGSA-N
XLogP13.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.93
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (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 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'-(3,5,7,9,9-pentamethylfluoren-2-yl)-4-N,4-N,4-N'-triphenyl-3,3'-spirobi[1,2-dihydroindene]-4,4'-diamine
CID 170779988
(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
9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]fluoranthen-3-amine
CID 139498840
(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)-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
N-(9,9-dimethylfluoren-1-yl)-9,9,10,10-tetramethyl-N-phenylphenanthren-4-amine
CID 163943699
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303519
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
(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
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1c(N(c2ccccc2)c2cccc3c2[C@]2(CCc4cccc(N(c5ccccc5)c5ccccc5)c42)CC3)ccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of (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?
The InChIKey is IUNVTAZQNAJVFB-NLXJDERGSA-N. The full InChI is InChI=1S/C51H44N2/c1-35-44(30-29-43-47(35)41-25-13-14-26-42(41)50(43,2)3)53(40-23-11-6-12-24-40)46-28-16-18-37-32-34-51(49(37)46)33-31-36-17-15-27-45(48(36)51)52(38-19-7-4-8-20-38)39-21-9-5-10-22-39/h4-30H,31-34H2,1-3H3/t51-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 684.93 g/mol, XLogP of 13.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170780034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).