N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine

C68H45NO — CID 176598022

IUPACN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-48(58)52-35-32-46(40-62(52)67)69(47-33-36-53-51-24-11-15-29-61(51)68(63(53)41-47)59-27-13-9-22-49(59)50-23-10-14-28-60(50)68)64-30-16-25-55-57-38-44-20-7-6-19-43(44)37-56(57)54-34-31-45(39-65(54)70-66(55)64)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyWZGUVTSHPPGGKM-UHFFFAOYSA-N
MW892.11 g/mol
LogP18.07
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine (PubChem CID 176598022) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
PubChem CID176598022
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-48(58)52-35-32-46(40-62(52)67)69(47-33-36-53-51-24-11-15-29-61(51)68(63(53)41-47)59-27-13-9-22-49(59)50-23-10-14-28-60(50)68)64-30-16-25-55-57-38-44-20-7-6-19-43(44)37-56(57)54-34-31-45(39-65(54)70-66(55)64)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyWZGUVTSHPPGGKM-UHFFFAOYSA-N
XLogP18.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-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-(9,9-dimethylfluoren-2-yl)-11-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597541
N-(9,9-diphenylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597900
N,N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597873
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130264596
9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597426
6-N-(9,9-dimethylfluoren-2-yl)-6-N-phenyl-10-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 168855982
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8(13),9,11,15,17,19,21-undecaen-12-amine
CID 176598384
N-(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 176597964
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
10-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855779
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine (CID 176598022) is N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine?
The InChIKey is WZGUVTSHPPGGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-48(58)52-35-32-46(40-62(52)67)69(47-33-36-53-51-24-11-15-29-61(51)68(63(53)41-47)59-27-13-9-22-49(59)50-23-10-14-28-60(50)68)64-30-16-25-55-57-38-44-20-7-6-19-43(44)37-56(57)54-34-31-45(39-65(54)70-66(55)64)42-17-4-3-5-18-42/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine?
N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine has a molecular weight of 892.11 g/mol, XLogP of 18.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-11-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine is sourced from PubChem (CID 176598022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).