10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 154952034

IUPAC10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c34)cc3c4ccccc4n1c23
InChIInChI=1S/C55H31N3O2/c59-55-39-19-5-4-15-35(39)43-27-33(28-44-38-18-8-11-22-47(38)58(55)54(43)44)32-25-26-40-52(29-32)60-51-24-12-23-48(53(40)51)57-46-21-10-7-17-37(46)42-30-41-36-16-6-9-20-45(36)56(49(41)31-50(42)57)34-13-2-1-3-14-34/h1-31H
InChIKeySTBSBXUDIYUWIU-UHFFFAOYSA-N
MW765.87 g/mol
LogP13.96
Rot. Bonds3

About 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 154952034) has the molecular formula C55H31N3O2 and a molecular weight of 765.87 g/mol. Its IUPAC name is 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 CID154952034
Molecular FormulaC55H31N3O2
Molecular Weight765.87 g/mol
Exact Mass765.24
IUPAC Name10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c34)cc3c4ccccc4n1c23
InChIInChI=1S/C55H31N3O2/c59-55-39-19-5-4-15-35(39)43-27-33(28-44-38-18-8-11-22-47(38)58(55)54(43)44)32-25-26-40-52(29-32)60-51-24-12-23-48(53(40)51)57-46-21-10-7-17-37(46)42-30-41-36-16-6-9-20-45(36)56(49(41)31-50(42)57)34-13-2-1-3-14-34/h1-31H
InChIKeySTBSBXUDIYUWIU-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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

3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
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
11-[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-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 118390301
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
5,10-bis(3-carbazol-9-ylphenyl)-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 154593080
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
10-[3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186402
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
11-[4-(3-phenylcarbazol-9-yl)phenyl]-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 118390314
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408

Frequently Asked Questions

What is the IUPAC name of 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 154952034) is 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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(-c3ccc4c(c3)oc3cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c34)cc3c4ccccc4n1c23.
What is the InChIKey of 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 STBSBXUDIYUWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N3O2/c59-55-39-19-5-4-15-35(39)43-27-33(28-44-38-18-8-11-22-47(38)58(55)54(43)44)32-25-26-40-52(29-32)60-51-24-12-23-48(53(40)51)57-46-21-10-7-17-37(46)42-30-41-36-16-6-9-20-45(36)56(49(41)31-50(42)57)34-13-2-1-3-14-34/h1-31H.
What are the key properties of 10-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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-[9-(7-phenylindolo[2,3-b]carbazol-5-yl)dibenzofuran-3-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 154952034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).