(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

C70H67N — CID 174061394

IUPAC(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
SMILESC[C@@H]1CC2CC(C1)[C@]1(c3ccccc3-c3ccc(-c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)[C@@]6(c8ccccc8-7)[C@H]7CC(C[C@@H](C)C7)C[C@@H]6C)c5)c4)cc31)[C@@H](C)C2
InChIInChI=1S/C70H67N/c1-44-32-48-36-46(3)69(56(34-44)38-48)65-22-10-8-20-61(65)63-30-26-55(42-67(63)69)53-17-12-16-52(40-53)54-18-13-19-59(41-54)71(58-27-24-51(25-28-58)50-14-6-5-7-15-50)60-29-31-64-62-21-9-11-23-66(62)70(68(64)43-60)47(4)37-49-33-45(2)35-57(70)39-49/h5-31,40-49,56-57H,32-39H2,1-4H3/t44-,45-,46+,47+,48?,49?,56?,57-,69+,70-/m1/s1
InChIKeySMGPLFUUYCYOQW-MSYDJHODSA-N
MW922.31 g/mol
LogP18.87
Rot. Bonds6

About (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

(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 (PubChem CID 174061394) has the molecular formula C70H67N and a molecular weight of 922.31 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID174061394
Molecular FormulaC70H67N
Molecular Weight922.31 g/mol
Exact Mass921.53
IUPAC Name(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
SMILESC[C@@H]1CC2CC(C1)[C@]1(c3ccccc3-c3ccc(-c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)[C@@]6(c8ccccc8-7)[C@H]7CC(C[C@@H](C)C7)C[C@@H]6C)c5)c4)cc31)[C@@H](C)C2
InChIInChI=1S/C70H67N/c1-44-32-48-36-46(3)69(56(34-44)38-48)65-22-10-8-20-61(65)63-30-26-55(42-67(63)69)53-17-12-16-52(40-53)54-18-13-19-59(41-54)71(58-27-24-51(25-28-58)50-14-6-5-7-15-50)60-29-31-64-62-21-9-11-23-66(62)70(68(64)43-60)47(4)37-49-33-45(2)35-57(70)39-49/h5-31,40-49,56-57H,32-39H2,1-4H3/t44-,45-,46+,47+,48?,49?,56?,57-,69+,70-/m1/s1
InChIKeySMGPLFUUYCYOQW-MSYDJHODSA-N
XLogP18.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.31
LogP ≤ 518.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

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,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
(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,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
N,N-bis(9,9-dimethylfluoren-2-yl)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 155393732
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393636
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-[(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
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1CC2CC(C1)[C@]1(c3ccccc3-c3ccc(-c4cccc(-c5cccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)[C@@]6(c8ccccc8-7)[C@H]7CC(C[C@@H](C)C7)C[C@@H]6C)c5)c4)cc31)[C@@H](C)C2.
What is the InChIKey of (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?
The InChIKey is SMGPLFUUYCYOQW-MSYDJHODSA-N. The full InChI is InChI=1S/C70H67N/c1-44-32-48-36-46(3)69(56(34-44)38-48)65-22-10-8-20-61(65)63-30-26-55(42-67(63)69)53-17-12-16-52(40-53)54-18-13-19-59(41-54)71(58-27-24-51(25-28-58)50-14-6-5-7-15-50)60-29-31-64-62-21-9-11-23-66(62)70(68(64)43-60)47(4)37-49-33-45(2)35-57(70)39-49/h5-31,40-49,56-57H,32-39H2,1-4H3/t44-,45-,46+,47+,48?,49?,56?,57-,69+,70-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 922.31 g/mol, XLogP of 18.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 174061394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).