16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

C43H25NO — CID 90246665

IUPAC16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C43H25NO/c1-5-15-34-28(10-1)29-11-2-6-16-35(29)43(34)36-17-9-14-32-30-12-3-7-18-38(30)44(42(32)36)39-22-20-27(25-37(39)43)26-21-23-41-33(24-26)31-13-4-8-19-40(31)45-41/h1-25H
InChIKeyFKMPMJNPULGTRX-UHFFFAOYSA-N
MW571.68 g/mol
LogP11.03
Rot. Bonds1

About 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]

16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (PubChem CID 90246665) has the molecular formula C43H25NO and a molecular weight of 571.68 g/mol. Its IUPAC name is 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].

Molecular Properties

Compound Name16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
PubChem CID90246665
Molecular FormulaC43H25NO
Molecular Weight571.68 g/mol
Exact Mass571.19
IUPAC Name16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-n2c3ccccc3c3cccc1c32
InChIInChI=1S/C43H25NO/c1-5-15-34-28(10-1)29-11-2-6-16-35(29)43(34)36-17-9-14-32-30-12-3-7-18-38(30)44(42(32)36)39-22-20-27(25-37(39)43)26-21-23-41-33(24-26)31-13-4-8-19-40(31)45-41/h1-25H
InChIKeyFKMPMJNPULGTRX-UHFFFAOYSA-N
XLogP11.03
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] with MolForge

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Related Compounds

2'-dibenzofuran-2-yl-10',10'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-anthracene]
CID 135140041
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135168391
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine
CID 135167231
N-(4-dibenzofuran-2-ylphenyl)-N-[6-[(13S)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-yl]naphthalen-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 135181573
4'-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 135140198
N-(4-dibenzofuran-2-ylphenyl)-2-(4-phenylphenyl)-N-(2-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline
CID 135167045
13-(3-dibenzofuran-2-ylphenyl)-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 145273046
16-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-xanthene]
CID 142509832
3'-dibenzofuran-2-yl-5'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 142481462
16-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 146494975
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166459
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?
The IUPAC name of 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] (CID 90246665) is 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene].
What is the SMILES notation for 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?
The canonical SMILES for 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cc(-c3ccc4oc5ccccc5c4c3)ccc2-n2c3ccccc3c3cccc1c32.
What is the InChIKey of 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?
The InChIKey is FKMPMJNPULGTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25NO/c1-5-15-34-28(10-1)29-11-2-6-16-35(29)43(34)36-17-9-14-32-30-12-3-7-18-38(30)44(42(32)36)39-22-20-27(25-37(39)43)26-21-23-41-33(24-26)31-13-4-8-19-40(31)45-41/h1-25H.
What are the key properties of 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]?
16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] has a molecular weight of 571.68 g/mol, XLogP of 11.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene] is sourced from PubChem (CID 90246665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).