14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C44H25N3OS — CID 168826503

IUPAC14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7cnc8c(n7)sc7ccc9ccccc9c78)c6c5c4)ccc32)cc1
InChIInChI=1S/C44H25N3OS/c1-2-10-29(11-3-1)47-36-15-7-6-13-31(36)33-23-27(17-20-37(33)47)28-18-21-38-34(24-28)41-32(14-8-16-39(41)48-38)35-25-45-43-42-30-12-5-4-9-26(30)19-22-40(42)49-44(43)46-35/h1-25H
InChIKeyBHBUCTDJYUZQFB-UHFFFAOYSA-N
MW643.77 g/mol
LogP12.33
Rot. Bonds3

About 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 168826503) has the molecular formula C44H25N3OS and a molecular weight of 643.77 g/mol. Its IUPAC name is 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Name14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID168826503
Molecular FormulaC44H25N3OS
Molecular Weight643.77 g/mol
Exact Mass643.17
IUPAC Name14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7cnc8c(n7)sc7ccc9ccccc9c78)c6c5c4)ccc32)cc1
InChIInChI=1S/C44H25N3OS/c1-2-10-29(11-3-1)47-36-15-7-6-13-31(36)33-23-27(17-20-37(33)47)28-18-21-38-34(24-28)41-32(14-8-16-39(41)48-38)35-25-45-43-42-30-12-5-4-9-26(30)19-22-40(42)49-44(43)46-35/h1-25H
InChIKeyBHBUCTDJYUZQFB-UHFFFAOYSA-N
XLogP12.33
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.77
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

14-[9-(9-phenylcarbazol-2-yl)dibenzothiophen-1-yl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 168826445
14-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 137442487
3-[9-[4-naphthalen-2-yl-6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 167377389
3-[8-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768786
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
3-[8-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768597
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[8-[9-(4-dibenzofuran-3-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]-9-phenylcarbazole
CID 168768745
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
3-[9-[9-[4-(2-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768814

Frequently Asked Questions

What is the IUPAC name of 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 168826503) is 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(-c7cnc8c(n7)sc7ccc9ccccc9c78)c6c5c4)ccc32)cc1.
What is the InChIKey of 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is BHBUCTDJYUZQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3OS/c1-2-10-29(11-3-1)47-36-15-7-6-13-31(36)33-23-27(17-20-37(33)47)28-18-21-38-34(24-28)41-32(14-8-16-39(41)48-38)35-25-45-43-42-30-12-5-4-9-26(30)19-22-40(42)49-44(43)46-35/h1-25H.
What are the key properties of 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 643.77 g/mol, XLogP of 12.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-11-thia-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 168826503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).