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

C63H55NO — CID 174061698

IUPACN-[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
SMILESC[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4cccc5c(N(c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cccc45)ccc31)[C@@H](C)C2
InChIInChI=1S/C63H55NO/c1-39-32-41-34-40(2)63(43(33-39)35-41)56-21-8-5-15-49(56)54-36-42(24-29-57(54)63)46-17-12-19-51-47(46)18-13-22-59(51)64(45-26-28-53-52-16-6-9-23-60(52)65-61(53)38-45)44-25-27-50-48-14-4-7-20-55(48)62(58(50)37-44)30-10-3-11-31-62/h4-9,12-29,36-41,43H,3,10-11,30-35H2,1-2H3/t39-,40+,41?,43-,63-/m1/s1
InChIKeyKITJSRHQIHKSKA-PNSULFEASA-N
MW842.14 g/mol
LogP17.47
Rot. Bonds4

About 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

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 (PubChem CID 174061698) has the molecular formula C63H55NO and a molecular weight of 842.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID174061698
Molecular FormulaC63H55NO
Molecular Weight842.14 g/mol
Exact Mass841.43
IUPAC NameN-[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
SMILESC[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4cccc5c(N(c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cccc45)ccc31)[C@@H](C)C2
InChIInChI=1S/C63H55NO/c1-39-32-41-34-40(2)63(43(33-39)35-41)56-21-8-5-15-49(56)54-36-42(24-29-57(54)63)46-17-12-19-51-47(46)18-13-22-59(51)64(45-26-28-53-52-16-6-9-23-60(52)65-61(53)38-45)44-25-27-50-48-14-4-7-20-55(48)62(58(50)37-44)30-10-3-11-31-62/h4-9,12-29,36-41,43H,3,10-11,30-35H2,1-2H3/t39-,40+,41?,43-,63-/m1/s1
InChIKeyKITJSRHQIHKSKA-PNSULFEASA-N
XLogP17.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.14
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[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
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
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
N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,12'-tricyclo[4.4.1.13,9]dodecane]-3-yldibenzofuran-1-amine
CID 168722338
N-spiro[adamantane-2,9'-fluorene]-1'-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-3-amine
CID 168722594
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
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
3-[(1R,2R,3S,7R)-3,7-dimethylspiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-4'-yl]-N-(4-methylphenyl)-N-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)aniline
CID 174061398
N-(3-naphthalen-1-ylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722683
N-(2-tert-butyl-5-phenylphenyl)-N-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 176781228
N,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CC2C[C@@H](C1)[C@@]1(c3ccccc3-c3cc(-c4cccc5c(N(c6ccc7c(c6)C6(CCCCC6)c6ccccc6-7)c6ccc7c(c6)oc6ccccc67)cccc45)ccc31)[C@@H](C)C2.
What is the InChIKey of 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?
The InChIKey is KITJSRHQIHKSKA-PNSULFEASA-N. The full InChI is InChI=1S/C63H55NO/c1-39-32-41-34-40(2)63(43(33-39)35-41)56-21-8-5-15-49(56)54-36-42(24-29-57(54)63)46-17-12-19-51-47(46)18-13-22-59(51)64(45-26-28-53-52-16-6-9-23-60(52)65-61(53)38-45)44-25-27-50-48-14-4-7-20-55(48)62(58(50)37-44)30-10-3-11-31-62/h4-9,12-29,36-41,43H,3,10-11,30-35H2,1-2H3/t39-,40+,41?,43-,63-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 842.14 g/mol, XLogP of 17.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174061698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).