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

C58H43NO — CID 176597873

IUPACN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3Oc3ccc(-c5ccccc5)cc3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C58H43NO/c1-57(2)50-22-12-10-19-42(50)44-28-26-40(34-52(44)57)59(41-27-29-45-43-20-11-13-23-51(43)58(3,4)53(45)35-41)54-24-14-21-46-47-31-37-17-8-9-18-38(37)32-48(47)49-33-39(36-15-6-5-7-16-36)25-30-55(49)60-56(46)54/h5-35H,1-4H3
InChIKeyUDTMVOHEJRAVIR-UHFFFAOYSA-N
MW769.99 g/mol
LogP16.03
Rot. Bonds4

About 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

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 (PubChem CID 176597873) has the molecular formula C58H43NO and a molecular weight of 769.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID176597873
Molecular FormulaC58H43NO
Molecular Weight769.99 g/mol
Exact Mass769.33
IUPAC NameN,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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3Oc3ccc(-c5ccccc5)cc3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C58H43NO/c1-57(2)50-22-12-10-19-42(50)44-28-26-40(34-52(44)57)59(41-27-29-45-43-20-11-13-23-51(43)58(3,4)53(45)35-41)54-24-14-21-46-47-31-37-17-8-9-18-38(37)32-48(47)49-33-39(36-15-6-5-7-16-36)25-30-55(49)60-56(46)54/h5-35H,1-4H3
InChIKeyUDTMVOHEJRAVIR-UHFFFAOYSA-N
XLogP16.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
CID 176598088
N-(9,9-dimethylfluoren-2-yl)-4,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-amine
CID 176597963
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
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
4-N-(9,9-dimethylfluoren-2-yl)-10-N,10-N-diphenyl-4-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-4,10-diamine
CID 168855904
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-phenyl-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-3-amine
CID 176597813
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
9,9-dimethyl-N-[4-[4-(18-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176597787
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4c3Oc3ccc(-c5ccccc5)cc3-c3cc5ccccc5cc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is UDTMVOHEJRAVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NO/c1-57(2)50-22-12-10-19-42(50)44-28-26-40(34-52(44)57)59(41-27-29-45-43-20-11-13-23-51(43)58(3,4)53(45)35-41)54-24-14-21-46-47-31-37-17-8-9-18-38(37)32-48(47)49-33-39(36-15-6-5-7-16-36)25-30-55(49)60-56(46)54/h5-35H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 769.99 g/mol, XLogP of 16.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176597873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).