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

C61H41NO2 — CID 176598384

IUPACN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3Oc3cc5ccccc5cc3-c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C61H41NO2/c1-61(2)54-23-10-8-18-47(54)48-33-31-44(37-55(48)61)62(43-29-26-39(27-30-43)45-20-12-21-51-49-19-9-11-25-57(49)63-59(45)51)56-24-13-22-50-46-32-28-42(38-14-4-3-5-15-38)34-52(46)53-35-40-16-6-7-17-41(40)36-58(53)64-60(50)56/h3-37H,1-2H3
InChIKeyXBCLXRABIIFDGF-UHFFFAOYSA-N
MW820.00 g/mol
LogP17.29
Rot. Bonds5

About 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

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 (PubChem CID 176598384) has the molecular formula C61H41NO2 and a molecular weight of 820.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID176598384
Molecular FormulaC61H41NO2
Molecular Weight820.00 g/mol
Exact Mass819.31
IUPAC NameN-(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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3Oc3cc5ccccc5cc3-c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C61H41NO2/c1-61(2)54-23-10-8-18-47(54)48-33-31-44(37-55(48)61)62(43-29-26-39(27-30-43)45-20-12-21-51-49-19-9-11-25-57(49)63-59(45)51)56-24-13-22-50-46-32-28-42(38-14-4-3-5-15-38)34-52(46)53-35-40-16-6-7-17-41(40)36-58(53)64-60(50)56/h3-37H,1-2H3
InChIKeyXBCLXRABIIFDGF-UHFFFAOYSA-N
XLogP17.29
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.00
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-11-amine
CID 176597554
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-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598464
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;4-(3-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161386927
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176597681
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine
CID 67964342
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964367
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
4-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylaniline;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-2-yl-7-phenylfluoren-2-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)anthracen-2-amine
CID 157416955
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3Oc3cc5ccccc5cc3-c3cc(-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is XBCLXRABIIFDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO2/c1-61(2)54-23-10-8-18-47(54)48-33-31-44(37-55(48)61)62(43-29-26-39(27-30-43)45-20-12-21-51-49-19-9-11-25-57(49)63-59(45)51)56-24-13-22-50-46-32-28-42(38-14-4-3-5-15-38)34-52(46)53-35-40-16-6-7-17-41(40)36-58(53)64-60(50)56/h3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 820.00 g/mol, XLogP of 17.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176598384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).