N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine

C63H37NO3 — CID 138568873

IUPACN-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccc4ccccc4c3Oc3c2ccc2ccccc32)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C63H37NO3/c1-3-16-45-38(12-1)24-31-55-61(45)67-62-46-17-4-2-13-39(46)25-32-56(62)63(55)53-21-8-5-18-47(53)51-35-41(26-30-54(51)63)40-14-11-15-42(34-40)64(43-28-33-59-52(36-43)49-20-7-10-23-58(49)65-59)44-27-29-50-48-19-6-9-22-57(48)66-60(50)37-44/h1-37H
InChIKeyDKFCPSIPTNODJA-UHFFFAOYSA-N
MW855.99 g/mol
LogP17.40
Rot. Bonds4

About N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine

N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine (PubChem CID 138568873) has the molecular formula C63H37NO3 and a molecular weight of 855.99 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
PubChem CID138568873
Molecular FormulaC63H37NO3
Molecular Weight855.99 g/mol
Exact Mass855.28
IUPAC NameN-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccc4ccccc4c3Oc3c2ccc2ccccc32)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C63H37NO3/c1-3-16-45-38(12-1)24-31-55-61(45)67-62-46-17-4-2-13-39(46)25-32-56(62)63(55)53-21-8-5-18-47(53)51-35-41(26-30-54(51)63)40-14-11-15-42(34-40)64(43-28-33-59-52(36-43)49-20-7-10-23-58(49)65-59)44-27-29-50-48-19-6-9-22-57(48)66-60(50)37-44/h1-37H
InChIKeyDKFCPSIPTNODJA-UHFFFAOYSA-N
XLogP17.40
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.99
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229431
N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229710
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-3-amine;N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;methane
CID 158525527
N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 161322711
N-(9,9-dimethylfluoren-2-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzofuran-3-amine
CID 138568679
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(9,9-diphenylfluoren-3-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 135229678
N-(4-dibenzofuran-2-ylphenyl)-2-phenyl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline;N,3,5-triphenyl-N-[3-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 158772522
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 135229503
N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835
N-(2-phenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)naphthalen-1-amine
CID 138568539

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine (CID 138568873) is N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine is c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccc4ccccc4c3Oc3c2ccc2ccccc32)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine?
The InChIKey is DKFCPSIPTNODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37NO3/c1-3-16-45-38(12-1)24-31-55-61(45)67-62-46-17-4-2-13-39(46)25-32-56(62)63(55)53-21-8-5-18-47(53)51-35-41(26-30-54(51)63)40-14-11-15-42(34-40)64(43-28-33-59-52(36-43)49-20-7-10-23-58(49)65-59)44-27-29-50-48-19-6-9-22-57(48)66-60(50)37-44/h1-37H.
What are the key properties of N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine?
N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine has a molecular weight of 855.99 g/mol, XLogP of 17.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 138568873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).