15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C38H22N2O2 — CID 153457790

IUPAC15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cc(-c2cccc(-c3ncnc4c3oc3c5ccccc5ccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C38H22N2O2/c1-2-12-29-23(7-1)15-17-31-36-38(42-37(29)31)35(39-22-40-36)28-11-6-10-26(20-28)24-8-5-9-25(19-24)27-16-18-34-32(21-27)30-13-3-4-14-33(30)41-34/h1-22H
InChIKeyLLKLKJJLERMUOF-UHFFFAOYSA-N
MW538.61 g/mol
LogP10.43
Rot. Bonds3

About 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 153457790) has the molecular formula C38H22N2O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID153457790
Molecular FormulaC38H22N2O2
Molecular Weight538.61 g/mol
Exact Mass538.17
IUPAC Name15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1cc(-c2cccc(-c3ncnc4c3oc3c5ccccc5ccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C38H22N2O2/c1-2-12-29-23(7-1)15-17-31-36-38(42-37(29)31)35(39-22-40-36)28-11-6-10-26(20-28)24-8-5-9-25(19-24)27-16-18-34-32(21-27)30-13-3-4-14-33(30)41-34/h1-22H
InChIKeyLLKLKJJLERMUOF-UHFFFAOYSA-N
XLogP10.43
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene 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

8-(4-phenylphenyl)-4-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 167236752
4-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485301
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118245310
4-[3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978435
2-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline;13-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-11-oxa-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 161309558
2-(8-naphtho[1,2-b][1]benzofuran-9-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 163425897
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578604
2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 168844978
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295

Frequently Asked Questions

What is the IUPAC name of 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 153457790) is 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1cc(-c2cccc(-c3ncnc4c3oc3c5ccccc5ccc43)c2)cc(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is LLKLKJJLERMUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O2/c1-2-12-29-23(7-1)15-17-31-36-38(42-37(29)31)35(39-22-40-36)28-11-6-10-26(20-28)24-8-5-9-25(19-24)27-16-18-34-32(21-27)30-13-3-4-14-33(30)41-34/h1-22H.
What are the key properties of 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 538.61 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 153457790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).