9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole

C75H44N4O2S — CID 118243192

IUPAC9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cccnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1
InChIInChI=1S/C75H44N4O2S/c1-3-19-53(66-27-7-9-36-76-66)51(17-1)47-30-33-68-62(41-47)60-26-14-38-78-75(60)79(68)50-16-11-15-45(39-50)46-31-34-70-63(40-46)64-42-48(32-35-71(64)80-70)61-43-49(52-18-2-4-20-54(52)67-28-8-10-37-77-67)44-65-59-25-13-24-58(73(59)82-74(61)65)57-23-12-22-56-55-21-5-6-29-69(55)81-72(56)57/h1-44H
InChIKeySBLBWTRDIZSDDN-UHFFFAOYSA-N
MW1065.27 g/mol
LogP20.80
Rot. Bonds8

About 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole

9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole (PubChem CID 118243192) has the molecular formula C75H44N4O2S and a molecular weight of 1065.27 g/mol. Its IUPAC name is 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole
PubChem CID118243192
Molecular FormulaC75H44N4O2S
Molecular Weight1065.27 g/mol
Exact Mass1064.32
IUPAC Name9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole
SMILESc1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cccnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1
InChIInChI=1S/C75H44N4O2S/c1-3-19-53(66-27-7-9-36-76-66)51(17-1)47-30-33-68-62(41-47)60-26-14-38-78-75(60)79(68)50-16-11-15-45(39-50)46-31-34-70-63(40-46)64-42-48(32-35-71(64)80-70)61-43-49(52-18-2-4-20-54(52)67-28-8-10-37-77-67)44-65-59-25-13-24-58(73(59)82-74(61)65)57-23-12-22-56-55-21-5-6-29-69(55)81-72(56)57/h1-44H
InChIKeySBLBWTRDIZSDDN-UHFFFAOYSA-N
XLogP20.80
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.27
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole?
The IUPAC name of 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole (CID 118243192) is 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole?
The canonical SMILES for 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole is c1ccc(-c2ccccc2-c2cc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cccnc87)c6)cc5c4c3)c3sc4c(-c5cccc6c5oc5ccccc56)cccc4c3c2)nc1.
What is the InChIKey of 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole?
The InChIKey is SBLBWTRDIZSDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H44N4O2S/c1-3-19-53(66-27-7-9-36-76-66)51(17-1)47-30-33-68-62(41-47)60-26-14-38-78-75(60)79(68)50-16-11-15-45(39-50)46-31-34-70-63(40-46)64-42-48(32-35-71(64)80-70)61-43-49(52-18-2-4-20-54(52)67-28-8-10-37-77-67)44-65-59-25-13-24-58(73(59)82-74(61)65)57-23-12-22-56-55-21-5-6-29-69(55)81-72(56)57/h1-44H.
What are the key properties of 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole?
9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole has a molecular weight of 1065.27 g/mol, XLogP of 20.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[8-[6-dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrido[2,3-b]indole is sourced from PubChem (CID 118243192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).