22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene

C57H37N3O — CID 129300874

IUPAC22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene
SMILESC1=Cc2c(c3c(n2-c2cccc(-c4cccc5c4oc4ccccc45)c2)-c2ccccc2N(c2cccc4c(-c5ccc6ccccc6n5)cccc24)c2ccccc2-3)CC1
InChIInChI=1S/C57H37N3O/c1-6-27-48-36(15-1)33-34-49(58-48)41-24-13-25-42-40(41)23-14-31-50(42)60-52-29-8-3-20-46(52)55-45-19-2-7-28-51(45)59(56(55)47-21-4-9-30-53(47)60)38-17-11-16-37(35-38)39-22-12-26-44-43-18-5-10-32-54(43)61-57(39)44/h1,3-18,20-35H,2,19H2
InChIKeyGCBNOYJKPMILIH-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.49
Rot. Bonds4

About 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene

22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene (PubChem CID 129300874) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene.

Molecular Properties

Compound Name22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene
PubChem CID129300874
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene
SMILESC1=Cc2c(c3c(n2-c2cccc(-c4cccc5c4oc4ccccc45)c2)-c2ccccc2N(c2cccc4c(-c5ccc6ccccc6n5)cccc24)c2ccccc2-3)CC1
InChIInChI=1S/C57H37N3O/c1-6-27-48-36(15-1)33-34-49(58-48)41-24-13-25-42-40(41)23-14-31-50(42)60-52-29-8-3-20-46(52)55-45-19-2-7-28-51(45)59(56(55)47-21-4-9-30-53(47)60)38-17-11-16-37(35-38)39-22-12-26-44-43-18-5-10-32-54(43)61-57(39)44/h1,3-18,20-35H,2,19H2
InChIKeyGCBNOYJKPMILIH-UHFFFAOYSA-N
XLogP15.49
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene 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

2-[3-[4,6-di(dibenzofuran-4-yl)pyrimidin-2-yl]phenyl]quinoline
CID 129133236
18-(3-dibenzofuran-4-ylphenyl)-1,18-diazaheptacyclo[17.11.0.02,11.05,10.012,17.021,30.024,29]triaconta-2(11),3,5,7,9,12,14,16,19,21(30),22,24,26,28-tetradecaene
CID 153452878
3-[8-(3-carbazol-9-ylphenyl)-6-(3,4-dihydrocarbazol-9-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 163750237
12-[3-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149698
22-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-8-(2,6-diphenylpyrimidin-4-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129263953
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 155305912
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
9-[3-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 174291367
3-dibenzofuran-4-yl-6-(6,7-dihydrodibenzofuran-4-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 88573967
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
8-[3-[3-(9,10-dihydrobenzo[h][1,6]naphthyridin-5-yl)phenyl]phenyl]-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129305686
9-(3-anthracen-9-ylphenyl)-3-(8,9-dihydrodibenzofuran-4-yl)carbazole
CID 87171652

Frequently Asked Questions

What is the IUPAC name of 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene?
The IUPAC name of 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene (CID 129300874) is 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene.
What is the SMILES notation for 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene?
The canonical SMILES for 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene is C1=Cc2c(c3c(n2-c2cccc(-c4cccc5c4oc4ccccc45)c2)-c2ccccc2N(c2cccc4c(-c5ccc6ccccc6n5)cccc24)c2ccccc2-3)CC1.
What is the InChIKey of 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene?
The InChIKey is GCBNOYJKPMILIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-6-27-48-36(15-1)33-34-49(58-48)41-24-13-25-42-40(41)23-14-31-50(42)60-52-29-8-3-20-46(52)55-45-19-2-7-28-51(45)59(56(55)47-21-4-9-30-53(47)60)38-17-11-16-37(35-38)39-22-12-26-44-43-18-5-10-32-54(43)61-57(39)44/h1,3-18,20-35H,2,19H2.
What are the key properties of 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene?
22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene has a molecular weight of 779.94 g/mol, XLogP of 15.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(3-dibenzofuran-4-ylphenyl)-8-(5-quinolin-2-ylnaphthalen-1-yl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16(21),19-nonaene is sourced from PubChem (CID 129300874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).