(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

C51H44N2 — CID 170779845

IUPAC(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
SMILESCc1cccc2c1-c1ccc(N(c3ccccc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)cc1C2(C)C
InChIInChI=1S/C51H44N2/c1-35-14-13-21-45-49(35)44-27-26-43(34-48(44)50(45,2)3)53(40-19-11-6-12-20-40)42-25-23-37-29-31-51(47(37)33-42)30-28-36-22-24-41(32-46(36)51)52(38-15-7-4-8-16-38)39-17-9-5-10-18-39/h4-27,32-34H,28-31H2,1-3H3/t51-/m1/s1
InChIKeyKTEKLGFXNIHPBV-NLXJDERGSA-N
MW684.93 g/mol
LogP13.42
Rot. Bonds6

About (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

(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 (PubChem CID 170779845) has the molecular formula C51H44N2 and a molecular weight of 684.93 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170779845
Molecular FormulaC51H44N2
Molecular Weight684.93 g/mol
Exact Mass684.35
IUPAC Name(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
SMILESCc1cccc2c1-c1ccc(N(c3ccccc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)cc1C2(C)C
InChIInChI=1S/C51H44N2/c1-35-14-13-21-45-49(35)44-27-26-43(34-48(44)50(45,2)3)53(40-19-11-6-12-20-40)42-25-23-37-29-31-51(47(37)33-42)30-28-36-22-24-41(32-46(36)51)52(38-15-7-4-8-16-38)39-17-9-5-10-18-39/h4-27,32-34H,28-31H2,1-3H3/t51-/m1/s1
InChIKeyKTEKLGFXNIHPBV-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)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine with MolForge

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Related Compounds

(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
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808
3-N-[4-(4-methylcyclohexyl)phenyl]-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117435
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-5,9,9-trimethyl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 176611544
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
(3R)-5-N,5-N-diphenyl-5-N',5-N'-bis(4-phenylphenyl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170780267
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cccc2c1-c1ccc(N(c3ccccc3)c3ccc4c(c3)[C@]3(CCc5ccc(N(c6ccccc6)c6ccccc6)cc53)CC4)cc1C2(C)C.
What is the InChIKey of (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?
The InChIKey is KTEKLGFXNIHPBV-NLXJDERGSA-N. The full InChI is InChI=1S/C51H44N2/c1-35-14-13-21-45-49(35)44-27-26-43(34-48(44)50(45,2)3)53(40-19-11-6-12-20-40)42-25-23-37-29-31-51(47(37)33-42)30-28-36-22-24-41(32-46(36)51)52(38-15-7-4-8-16-38)39-17-9-5-10-18-39/h4-27,32-34H,28-31H2,1-3H3/t51-/m1/s1.
What are the key properties of (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?
(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 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)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine is sourced from PubChem (CID 170779845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).