(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine

C64H63N — CID 168722463

IUPAC(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
SMILESC[C@@H]1CC2C[C@H](C1)[C@@]1(c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc5c(c4)-c4ccccc4[C@]54[C@H]5CC(C[C@@H](C)C5)C[C@@H]4C)ccc31)[C@@H](C)C2
InChIInChI=1S/C64H63N/c1-40-29-44-33-42(3)63(48(31-40)35-44)59-21-13-11-19-54(59)57-38-51(24-27-61(57)63)65(50-23-26-53(46-15-7-5-8-16-46)56(37-50)47-17-9-6-10-18-47)52-25-28-62-58(39-52)55-20-12-14-22-60(55)64(62)43(4)34-45-30-41(2)32-49(64)36-45/h5-28,37-45,48-49H,29-36H2,1-4H3/t40-,41-,42+,43+,44?,45?,48-,49+,63+,64-/m1/s1
InChIKeyYYAVSXZZDQCTOY-ULSBLNMDSA-N
MW846.22 g/mol
LogP17.21
Rot. Bonds5

About (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine

(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine (PubChem CID 168722463) has the molecular formula C64H63N and a molecular weight of 846.22 g/mol. Its IUPAC name is (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound Name(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
PubChem CID168722463
Molecular FormulaC64H63N
Molecular Weight846.22 g/mol
Exact Mass845.50
IUPAC Name(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
SMILESC[C@@H]1CC2C[C@H](C1)[C@@]1(c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc5c(c4)-c4ccccc4[C@]54[C@H]5CC(C[C@@H](C)C5)C[C@@H]4C)ccc31)[C@@H](C)C2
InChIInChI=1S/C64H63N/c1-40-29-44-33-42(3)63(48(31-40)35-44)59-21-13-11-19-54(59)57-38-51(24-27-61(57)63)65(50-23-26-53(46-15-7-5-8-16-46)56(37-50)47-17-9-6-10-18-47)52-25-28-62-58(39-52)55-20-12-14-22-60(55)64(62)43(4)34-45-30-41(2)32-49(64)36-45/h5-28,37-45,48-49H,29-36H2,1-4H3/t40-,41-,42+,43+,44?,45?,48-,49+,63+,64-/m1/s1
InChIKeyYYAVSXZZDQCTOY-ULSBLNMDSA-N
XLogP17.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.22
LogP ≤ 517.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine with MolForge

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Related Compounds

(1S,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,5-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine
CID 168722810
N-[4-[(1R,2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-4-phenylaniline
CID 168722482
(1S,2R,3S,7R)-3,7-dimethyl-N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 168722952
(1R,2R,3S,7R)-3,7-dimethyl-N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 174061376
(1R,2R,3S,7R)-N-[3-[3-[(2S,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]phenyl]-3,7-dimethyl-N-(4-phenylphenyl)spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 174061394
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 155393732
N-[4-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 166984173
N-[4-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 166894198
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
N-[4-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-yl]phenyl]-N-(4-phenylphenyl)-2-spiro[cyclopentane-1,9'-fluorene]-3'-ylaniline
CID 168723031
2-[2-(3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 167162779
3'-(7-chloro-9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]
CID 156573187

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine?
The IUPAC name of (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine (CID 168722463) is (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine?
The canonical SMILES for (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine is C[C@@H]1CC2C[C@H](C1)[C@@]1(c3ccccc3-c3cc(N(c4ccc(-c5ccccc5)c(-c5ccccc5)c4)c4ccc5c(c4)-c4ccccc4[C@]54[C@H]5CC(C[C@@H](C)C5)C[C@@H]4C)ccc31)[C@@H](C)C2.
What is the InChIKey of (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine?
The InChIKey is YYAVSXZZDQCTOY-ULSBLNMDSA-N. The full InChI is InChI=1S/C64H63N/c1-40-29-44-33-42(3)63(48(31-40)35-44)59-21-13-11-19-54(59)57-38-51(24-27-61(57)63)65(50-23-26-53(46-15-7-5-8-16-46)56(37-50)47-17-9-6-10-18-47)52-25-28-62-58(39-52)55-20-12-14-22-60(55)64(62)43(4)34-45-30-41(2)32-49(64)36-45/h5-28,37-45,48-49H,29-36H2,1-4H3/t40-,41-,42+,43+,44?,45?,48-,49+,63+,64-/m1/s1.
What are the key properties of (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine?
(1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine has a molecular weight of 846.22 g/mol, XLogP of 17.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,7R)-N-[(1S,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-N-(3,4-diphenylphenyl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 168722463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).