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

C55H31N3O2 — CID 154952437

IUPAC10-[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
SMILESO=c1c2ccccc2c2cc(-c3cccc4oc5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5c34)cc3c4ccccc4n1c23
InChIInChI=1S/C55H31N3O2/c59-55-40-18-5-4-15-36(40)42-29-32(30-43-38-17-7-10-22-46(38)58(55)53(42)43)35-20-12-24-50-51(35)44-31-34(25-28-49(44)60-50)56-47-23-11-8-19-41(47)52-48(56)27-26-39-37-16-6-9-21-45(37)57(54(39)52)33-13-2-1-3-14-33/h1-31H
InChIKeyAVLRBIATXYAREQ-UHFFFAOYSA-N
MW765.87 g/mol
LogP13.96
Rot. Bonds3

About 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

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 (PubChem CID 154952437) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-[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
PubChem CID154952437
Molecular FormulaC55H31N3O2
Molecular Weight765.87 g/mol
Exact Mass765.24
IUPAC Name10-[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
SMILESO=c1c2ccccc2c2cc(-c3cccc4oc5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5c34)cc3c4ccccc4n1c23
InChIInChI=1S/C55H31N3O2/c59-55-40-18-5-4-15-36(40)42-29-32(30-43-38-17-7-10-22-46(38)58(55)53(42)43)35-20-12-24-50-51(35)44-31-34(25-28-49(44)60-50)56-47-23-11-8-19-41(47)52-48(56)27-26-39-37-16-6-9-21-45(37)57(54(39)52)33-13-2-1-3-14-33/h1-31H
InChIKeyAVLRBIATXYAREQ-UHFFFAOYSA-N
XLogP13.96
TPSA44.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.87
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-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
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118699664
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
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
11-(5-phenylindolo[3,2-c]carbazol-12-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390299
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
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
12-dibenzofuran-2-yl-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 163700915
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2ccccc2c2cc(-c3cccc4oc5ccc(-n6c7ccccc7c7c6ccc6c8ccccc8n(-c8ccccc8)c67)cc5c34)cc3c4ccccc4n1c23.
What is the InChIKey of 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?
The InChIKey is AVLRBIATXYAREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c59-55-40-18-5-4-15-36(40)42-29-32(30-43-38-17-7-10-22-46(38)58(55)53(42)43)35-20-12-24-50-51(35)44-31-34(25-28-49(44)60-50)56-47-23-11-8-19-41(47)52-48(56)27-26-39-37-16-6-9-21-45(37)57(54(39)52)33-13-2-1-3-14-33/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 765.87 g/mol, XLogP of 13.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154952437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).