4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

C38H23N3O — CID 129088911

IUPAC4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3c3nc4ccccn4c23)cc1
InChIInChI=1S/C38H23N3O/c1-2-9-26(10-3-1)35-37-36(40-34-15-6-7-22-41(34)37)31-23-27(20-21-32(31)39-35)24-16-18-25(19-17-24)28-12-8-13-30-29-11-4-5-14-33(29)42-38(28)30/h1-23H
InChIKeyOGECAFIIHSLYSM-UHFFFAOYSA-N
MW537.62 g/mol
LogP9.94
Rot. Bonds3

About 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (PubChem CID 129088911) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
PubChem CID129088911
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESc1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3c3nc4ccccn4c23)cc1
InChIInChI=1S/C38H23N3O/c1-2-9-26(10-3-1)35-37-36(40-34-15-6-7-22-41(34)37)31-23-27(20-21-32(31)39-35)24-16-18-25(19-17-24)28-12-8-13-30-29-11-4-5-14-33(29)42-38(28)30/h1-23H
InChIKeyOGECAFIIHSLYSM-UHFFFAOYSA-N
XLogP9.94
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene with MolForge

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Related Compounds

9-phenyl-4-pyridin-3-yl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
CID 129088914
9-(4-phenanthren-9-ylphenyl)-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392950
9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393650
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
9-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392828
2-chloro-6-dibenzofuran-4-yl-4-phenylquinazoline
CID 139327756
3-(3-dibenzofuran-4-ylphenyl)-2-(4-phenylphenyl)phenanthro[9,10-b]pyrazine
CID 58410142
N,N-bis(4-phenylphenyl)-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;N,N-diphenyl-3-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-9-yl)phenyl]aniline
CID 158587057
9-[3-[4-(9-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaenyl)phenyl]phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130392878
2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 162005559
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
CID 137473418

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (CID 129088911) is 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is c1ccc(-c2nc3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3c3nc4ccccn4c23)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The InChIKey is OGECAFIIHSLYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c1-2-9-26(10-3-1)35-37-36(40-34-15-6-7-22-41(34)37)31-23-27(20-21-32(31)39-35)24-16-18-25(19-17-24)28-12-8-13-30-29-11-4-5-14-33(29)42-38(28)30/h1-23H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene has a molecular weight of 537.62 g/mol, XLogP of 9.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-9-phenyl-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is sourced from PubChem (CID 129088911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).