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

C65H43NO — CID 176597900

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-55-54-28-15-16-30-60(54)65(61(55)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)62-31-17-29-57-59-41-48-23-14-13-22-47(48)40-58(59)56-38-34-49(42-63(56)67-64(57)62)45-20-7-2-8-21-45/h1-43H
InChIKeyLODOXXWDXJMRCS-UHFFFAOYSA-N
MW854.07 g/mol
LogP17.45
Rot. Bonds7

About 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

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 (PubChem CID 176597900) has the molecular formula C65H43NO and a molecular weight of 854.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID176597900
Molecular FormulaC65H43NO
Molecular Weight854.07 g/mol
Exact Mass853.33
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-55-54-28-15-16-30-60(54)65(61(55)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)62-31-17-29-57-59-41-48-23-14-13-22-47(48)40-58(59)56-38-34-49(42-63(56)67-64(57)62)45-20-7-2-8-21-45/h1-43H
InChIKeyLODOXXWDXJMRCS-UHFFFAOYSA-N
XLogP17.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 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-diphenylfluoren-2-yl)-11-phenyl-N-(4-phenylphenyl)-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 176597465
5-N-(9,9-diphenylfluoren-2-yl)-10-N,10-N-diphenyl-5-N-[4-(4-phenylphenyl)phenyl]-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 168855631
N-(9,9-diphenylfluoren-2-yl)-5-phenyl-N-(4-phenylphenyl)-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
CID 176597592
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,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
4-N-(9,9-diphenylfluoren-2-yl)-10-N,10-N-diphenyl-4-N-[4-(4-phenylphenyl)phenyl]-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 168855838
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)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 176598344
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3cccc4c3Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is LODOXXWDXJMRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H43NO/c1-5-18-44(19-6-1)46-32-35-52(36-33-46)66(53-37-39-55-54-28-15-16-30-60(54)65(61(55)43-53,50-24-9-3-10-25-50)51-26-11-4-12-27-51)62-31-17-29-57-59-41-48-23-14-13-22-47(48)40-58(59)56-38-34-49(42-63(56)67-64(57)62)45-20-7-2-8-21-45/h1-43H.
What are the key properties of 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?
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 has a molecular weight of 854.07 g/mol, XLogP of 17.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176597900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).