5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

C62H34N2O2 — CID 154952111

IUPAC5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESO=c1c2ccccc2c2cccc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9c%10c(ccc98)C8(c9ccccc9-c9ccccc98)c8ccccc8-%10)cc7c56)ccc4n1c23
InChIInChI=1S/C62H34N2O2/c65-61-43-16-2-1-13-38(43)41-20-11-21-42-46-33-35(27-30-53(46)64(61)60(41)42)37-19-12-26-56-57(37)47-34-36(28-32-55(47)66-56)63-52-25-10-6-18-45(52)59-54(63)31-29-51-58(59)44-17-5-9-24-50(44)62(51)48-22-7-3-14-39(48)40-15-4-8-23-49(40)62/h1-34H
InChIKeyZUBUMQCADLUHRM-UHFFFAOYSA-N
MW838.97 g/mol
LogP15.20
Rot. Bonds2

About 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one

5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (PubChem CID 154952111) has the molecular formula C62H34N2O2 and a molecular weight of 838.97 g/mol. Its IUPAC name is 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.

Molecular Properties

Compound Name5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
PubChem CID154952111
Molecular FormulaC62H34N2O2
Molecular Weight838.97 g/mol
Exact Mass838.26
IUPAC Name5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
SMILESO=c1c2ccccc2c2cccc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9c%10c(ccc98)C8(c9ccccc9-c9ccccc98)c8ccccc8-%10)cc7c56)ccc4n1c23
InChIInChI=1S/C62H34N2O2/c65-61-43-16-2-1-13-38(43)41-20-11-21-42-46-33-35(27-30-53(46)64(61)60(41)42)37-19-12-26-56-57(37)47-34-36(28-32-55(47)66-56)63-52-25-10-6-18-45(52)59-54(63)31-29-51-58(59)44-17-5-9-24-50(44)62(51)48-22-7-3-14-39(48)40-15-4-8-23-49(40)62/h1-34H
InChIKeyZUBUMQCADLUHRM-UHFFFAOYSA-N
XLogP15.20
TPSA39.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.97
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154952112
10-[8-(12-phenylindolo[3,2-c]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8,10,12(20),13,15,17-nonaen-19-one
CID 154952437
10-phenyl-5-[8-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-1-yl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154952095
9-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
CID 169014201
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
12'-dibenzofuran-2-ylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90253710
9-[5'-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 169060638
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602337
7,7-dimethyl-5-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 134498087
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
CID 134551696
CID 134551696
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)carbazol-9-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 154952080

Frequently Asked Questions

What is the IUPAC name of 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The IUPAC name of 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one (CID 154952111) is 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one.
What is the SMILES notation for 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The canonical SMILES for 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is O=c1c2ccccc2c2cccc3c4cc(-c5cccc6oc7ccc(-n8c9ccccc9c9c%10c(ccc98)C8(c9ccccc9-c9ccccc98)c8ccccc8-%10)cc7c56)ccc4n1c23.
What is the InChIKey of 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
The InChIKey is ZUBUMQCADLUHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34N2O2/c65-61-43-16-2-1-13-38(43)41-20-11-21-42-46-33-35(27-30-53(46)64(61)60(41)42)37-19-12-26-56-57(37)47-34-36(28-32-55(47)66-56)63-52-25-10-6-18-45(52)59-54(63)31-29-51-58(59)44-17-5-9-24-50(44)62(51)48-22-7-3-14-39(48)40-15-4-8-23-49(40)62/h1-34H.
What are the key properties of 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one?
5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one has a molecular weight of 838.97 g/mol, XLogP of 15.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-9-yldibenzofuran-1-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one is sourced from PubChem (CID 154952111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).