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

C44H24N2O3 — CID 118390301

IUPAC11-[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
SMILESO=c1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc3c4ccccc4c(=O)n1c23
InChIInChI=1S/C44H24N2O3/c47-43-32-16-3-1-12-28(32)36-21-26(22-37-29-13-2-4-17-33(29)44(48)46(43)42(36)37)25-10-9-11-27(20-25)45-38-18-7-5-14-30(38)34-23-35-31-15-6-8-19-40(31)49-41(35)24-39(34)45/h1-24H
InChIKeyQZZIRPXJJDSYDW-UHFFFAOYSA-N
MW628.69 g/mol
LogP10.22
Rot. Bonds2

About 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

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 (PubChem CID 118390301) has the molecular formula C44H24N2O3 and a molecular weight of 628.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID118390301
Molecular FormulaC44H24N2O3
Molecular Weight628.69 g/mol
Exact Mass628.18
IUPAC Name11-[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
SMILESO=c1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc3c4ccccc4c(=O)n1c23
InChIInChI=1S/C44H24N2O3/c47-43-32-16-3-1-12-28(32)36-21-26(22-37-29-13-2-4-17-33(29)44(48)46(43)42(36)37)25-10-9-11-27(20-25)45-38-18-7-5-14-30(38)34-23-35-31-15-6-8-19-40(31)49-41(35)24-39(34)45/h1-24H
InChIKeyQZZIRPXJJDSYDW-UHFFFAOYSA-N
XLogP10.22
TPSA56.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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(21),10,12,14,16-octaene-2,20-dione
CID 122643757
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
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-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
26-phenyl-30-(3-phenylphenyl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24(29),25,27-pentadecaene
CID 118361069
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
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
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1c2ccccc2c2cc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)cc3c4ccccc4c(=O)n1c23.
What is the InChIKey of 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?
The InChIKey is QZZIRPXJJDSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N2O3/c47-43-32-16-3-1-12-28(32)36-21-26(22-37-29-13-2-4-17-33(29)44(48)46(43)42(36)37)25-10-9-11-27(20-25)45-38-18-7-5-14-30(38)34-23-35-31-15-6-8-19-40(31)49-41(35)24-39(34)45/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 628.69 g/mol, XLogP of 10.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118390301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).