3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole

C71H44N8O5 — CID 118654998

IUPAC3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
SMILESC=C1/C=C(c2ccc(-c3ccccn3)o2)\C=C/CN(c2ccc(-c3ccccn3)o2)c2ncc(-c3ccc4oc5ccc(-c6cnc7c(c6)c6cc(-c8ccc(-c9ccccn9)o8)ccc6n7-c6ccc(-c7ccccn7)o6)cc5c4c3)cc21
InChIInChI=1S/C71H44N8O5/c1-43-35-46(60-22-24-64(80-60)55-12-2-6-30-72-55)11-10-34-78(68-28-26-66(83-68)57-14-4-8-32-74-57)70-50(43)39-48(41-76-70)44-17-20-62-52(36-44)53-37-45(18-21-63(53)82-62)49-40-54-51-38-47(61-23-25-65(81-61)56-13-3-7-31-73-56)16-19-59(51)79(71(54)77-42-49)69-29-27-67(84-69)58-15-5-9-33-75-58/h2-33,35-42H,1,34H2/b11-10-,46-35+
InChIKeyAIIXEOLYSFEQAC-BQAFMABYSA-N
MW1089.18 g/mol
LogP17.90
Rot. Bonds10

About 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole

3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole (PubChem CID 118654998) has the molecular formula C71H44N8O5 and a molecular weight of 1089.18 g/mol. Its IUPAC name is 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
PubChem CID118654998
Molecular FormulaC71H44N8O5
Molecular Weight1089.18 g/mol
Exact Mass1088.34
IUPAC Name3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
SMILESC=C1/C=C(c2ccc(-c3ccccn3)o2)\C=C/CN(c2ccc(-c3ccccn3)o2)c2ncc(-c3ccc4oc5ccc(-c6cnc7c(c6)c6cc(-c8ccc(-c9ccccn9)o8)ccc6n7-c6ccc(-c7ccccn7)o6)cc5c4c3)cc21
InChIInChI=1S/C71H44N8O5/c1-43-35-46(60-22-24-64(80-60)55-12-2-6-30-72-55)11-10-34-78(68-28-26-66(83-68)57-14-4-8-32-74-57)70-50(43)39-48(41-76-70)44-17-20-62-52(36-44)53-37-45(18-21-63(53)82-62)49-40-54-51-38-47(61-23-25-65(81-61)56-13-3-7-31-73-56)16-19-59(51)79(71(54)77-42-49)69-29-27-67(84-69)58-15-5-9-33-75-58/h2-33,35-42H,1,34H2/b11-10-,46-35+
InChIKeyAIIXEOLYSFEQAC-BQAFMABYSA-N
XLogP17.90
TPSA151.21 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.18
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole (CID 118654998) is 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole is C=C1/C=C(c2ccc(-c3ccccn3)o2)\C=C/CN(c2ccc(-c3ccccn3)o2)c2ncc(-c3ccc4oc5ccc(-c6cnc7c(c6)c6cc(-c8ccc(-c9ccccn9)o8)ccc6n7-c6ccc(-c7ccccn7)o6)cc5c4c3)cc21.
What is the InChIKey of 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
The InChIKey is AIIXEOLYSFEQAC-BQAFMABYSA-N. The full InChI is InChI=1S/C71H44N8O5/c1-43-35-46(60-22-24-64(80-60)55-12-2-6-30-72-55)11-10-34-78(68-28-26-66(83-68)57-14-4-8-32-74-57)70-50(43)39-48(41-76-70)44-17-20-62-52(36-44)53-37-45(18-21-63(53)82-62)49-40-54-51-38-47(61-23-25-65(81-61)56-13-3-7-31-73-56)16-19-59(51)79(71(54)77-42-49)69-29-27-67(84-69)58-15-5-9-33-75-58/h2-33,35-42H,1,34H2/b11-10-,46-35+.
What are the key properties of 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole has a molecular weight of 1089.18 g/mol, XLogP of 17.90, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[(6E,8Z)-5-methylidene-7,11-bis(5-pyridin-2-ylfuran-2-yl)-10H-pyrido[2,3-b]azonin-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118654998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).