3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole

C71H41N7O5 — CID 89308824

IUPAC3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccc(-c8cnc9c(c8)c8cc(-c%10ccc(-c%11ccccn%11)o%10)ccc8n9-c8ccc(-c9ccccn9)o8)cc7c6c5)ccc3n4-c3ccc(-c4ccccn4)o3)o2)nc1
InChIInChI=1S/C71H41N7O5/c1-5-31-72-54(9-1)65-25-23-61(79-65)45-14-19-59-49(38-45)48-35-42(13-18-58(48)77(59)69-29-27-67(82-69)56-11-3-7-33-74-56)43-16-21-63-51(36-43)52-37-44(17-22-64(52)81-63)47-40-53-50-39-46(62-24-26-66(80-62)55-10-2-6-32-73-55)15-20-60(50)78(71(53)76-41-47)70-30-28-68(83-70)57-12-4-8-34-75-57/h1-41H
InChIKeyJUMWQQIGYFHBBD-UHFFFAOYSA-N
MW1072.15 g/mol
LogP18.46
Rot. Bonds10

About 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole

3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole (PubChem CID 89308824) has the molecular formula C71H41N7O5 and a molecular weight of 1072.15 g/mol. Its IUPAC name is 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
PubChem CID89308824
Molecular FormulaC71H41N7O5
Molecular Weight1072.15 g/mol
Exact Mass1071.32
IUPAC Name3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccc(-c8cnc9c(c8)c8cc(-c%10ccc(-c%11ccccn%11)o%10)ccc8n9-c8ccc(-c9ccccn9)o8)cc7c6c5)ccc3n4-c3ccc(-c4ccccn4)o3)o2)nc1
InChIInChI=1S/C71H41N7O5/c1-5-31-72-54(9-1)65-25-23-61(79-65)45-14-19-59-49(38-45)48-35-42(13-18-58(48)77(59)69-29-27-67(82-69)56-11-3-7-33-74-56)43-16-21-63-51(36-43)52-37-44(17-22-64(52)81-63)47-40-53-50-39-46(62-24-26-66(80-62)55-10-2-6-32-73-55)15-20-60(50)78(71(53)76-41-47)70-30-28-68(83-70)57-12-4-8-34-75-57/h1-41H
InChIKeyJUMWQQIGYFHBBD-UHFFFAOYSA-N
XLogP18.46
TPSA140.01 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001072.15
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-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-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-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-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole (CID 89308824) is 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-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-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-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-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole is c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6oc7ccc(-c8cnc9c(c8)c8cc(-c%10ccc(-c%11ccccn%11)o%10)ccc8n9-c8ccc(-c9ccccn9)o8)cc7c6c5)ccc3n4-c3ccc(-c4ccccn4)o3)o2)nc1.
What is the InChIKey of 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
The InChIKey is JUMWQQIGYFHBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H41N7O5/c1-5-31-72-54(9-1)65-25-23-61(79-65)45-14-19-59-49(38-45)48-35-42(13-18-58(48)77(59)69-29-27-67(82-69)56-11-3-7-33-74-56)43-16-21-63-51(36-43)52-37-44(17-22-64(52)81-63)47-40-53-50-39-46(62-24-26-66(80-62)55-10-2-6-32-73-55)15-20-60(50)78(71(53)76-41-47)70-30-28-68(83-70)57-12-4-8-34-75-57/h1-41H.
What are the key properties of 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole?
3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole has a molecular weight of 1072.15 g/mol, XLogP of 18.46, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[6,9-bis(5-pyridin-2-ylfuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-6,9-bis(5-pyridin-2-ylfuran-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 89308824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).