7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine

C64H53NO — CID 174062177

IUPAC7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
SMILESC[C@@H]1CC2C[C@@H]3C2C[C@H](C1)[C@@]31c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc34)ccc21
InChIInChI=1S/C64H53NO/c1-39-31-44-34-60-54(44)36-45(32-39)64(60)57-16-8-6-14-50(57)55-33-42(20-28-58(55)64)43-19-25-52-53-27-24-48(38-62(53)66-61(52)35-43)65(46-21-17-41(18-22-46)40-11-3-2-4-12-40)47-23-26-51-49-13-5-7-15-56(49)63(59(51)37-47)29-9-10-30-63/h2-8,11-28,33,35,37-39,44-45,54,60H,9-10,29-32,34,36H2,1H3/t39-,44?,45+,54?,60-,64+/m1/s1
InChIKeyKHJGVCJUNKZGJG-SYDWYALJSA-N
MW852.13 g/mol
LogP17.20
Rot. Bonds5

About 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine

7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine (PubChem CID 174062177) has the molecular formula C64H53NO and a molecular weight of 852.13 g/mol. Its IUPAC name is 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine.

Molecular Properties

Compound Name7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
PubChem CID174062177
Molecular FormulaC64H53NO
Molecular Weight852.13 g/mol
Exact Mass851.41
IUPAC Name7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
SMILESC[C@@H]1CC2C[C@@H]3C2C[C@H](C1)[C@@]31c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc34)ccc21
InChIInChI=1S/C64H53NO/c1-39-31-44-34-60-54(44)36-45(32-39)64(60)57-16-8-6-14-50(57)55-33-42(20-28-58(55)64)43-19-25-52-53-27-24-48(38-62(53)66-61(52)35-43)65(46-21-17-41(18-22-46)40-11-3-2-4-12-40)47-23-26-51-49-13-5-7-15-56(49)63(59(51)37-47)29-9-10-30-63/h2-8,11-28,33,35,37-39,44-45,54,60H,9-10,29-32,34,36H2,1H3/t39-,44?,45+,54?,60-,64+/m1/s1
InChIKeyKHJGVCJUNKZGJG-SYDWYALJSA-N
XLogP17.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.13
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine with MolForge

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Related Compounds

N-[5-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]naphthalen-1-yl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 174061698
7-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-3'-yl]-9-phenyl-N-(4-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylcarbazol-2-amine
CID 168722567
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168723100
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylphenyl)dibenzofuran-3-amine
CID 155402354
N-(3-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168723014
N-[4-(4-phenylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-amine
CID 168722865
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
N-(3-phenylphenyl)-N-(6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-yl)dibenzofuran-3-amine
CID 170085152
N-(3-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722800
N-(2-tert-butyl-5-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 176781228
N-(4-dibenzofuran-3-ylphenyl)-3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168839418

Frequently Asked Questions

What is the IUPAC name of 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine?
The IUPAC name of 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine (CID 174062177) is 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine.
What is the SMILES notation for 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine?
The canonical SMILES for 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine is C[C@@H]1CC2C[C@@H]3C2C[C@H](C1)[C@@]31c2ccccc2-c2cc(-c3ccc4c(c3)oc3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C5(CCCC5)c5ccccc5-6)ccc34)ccc21.
What is the InChIKey of 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine?
The InChIKey is KHJGVCJUNKZGJG-SYDWYALJSA-N. The full InChI is InChI=1S/C64H53NO/c1-39-31-44-34-60-54(44)36-45(32-39)64(60)57-16-8-6-14-50(57)55-33-42(20-28-58(55)64)43-19-25-52-53-27-24-48(38-62(53)66-61(52)35-43)65(46-21-17-41(18-22-46)40-11-3-2-4-12-40)47-23-26-51-49-13-5-7-15-56(49)63(59(51)37-47)29-9-10-30-63/h2-8,11-28,33,35,37-39,44-45,54,60H,9-10,29-32,34,36H2,1H3/t39-,44?,45+,54?,60-,64+/m1/s1.
What are the key properties of 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine?
7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine has a molecular weight of 852.13 g/mol, XLogP of 17.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1'R,5'R,7'S,9S)-5'-methylspiro[fluorene-9,10'-tricyclo[5.2.1.03,9]decane]-3-yl]-N-(4-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine is sourced from PubChem (CID 174062177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).