5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole

C87H53N7O — CID 146250425

IUPAC5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cccc3c2c2c(-c4ccccc4)cccc2n3-c2nc(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1
InChIInChI=1S/C87H53N7O/c1-5-23-54(24-6-1)59-34-19-40-73-80(59)81-60(55-25-7-2-8-26-55)35-20-41-74(81)93(73)86-84(91-69-38-16-13-31-63(69)67-52-88-49-47-71(67)91)79(58-45-46-78-66(51-58)65-33-15-18-44-77(65)95-78)85(92-70-39-17-14-32-64(70)68-53-89-50-48-72(68)92)87(90-86)94-75-42-21-36-61(56-27-9-3-10-28-56)82(75)83-62(37-22-43-76(83)94)57-29-11-4-12-30-57/h1-53H
InChIKeyAKYIYIUKJBEDTK-UHFFFAOYSA-N
MW1212.43 g/mol
LogP22.49
Rot. Bonds9

About 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole

5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole (PubChem CID 146250425) has the molecular formula C87H53N7O and a molecular weight of 1212.43 g/mol. Its IUPAC name is 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
PubChem CID146250425
Molecular FormulaC87H53N7O
Molecular Weight1212.43 g/mol
Exact Mass1211.43
IUPAC Name5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2cccc3c2c2c(-c4ccccc4)cccc2n3-c2nc(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1
InChIInChI=1S/C87H53N7O/c1-5-23-54(24-6-1)59-34-19-40-73-80(59)81-60(55-25-7-2-8-26-55)35-20-41-74(81)93(73)86-84(91-69-38-16-13-31-63(69)67-52-88-49-47-71(67)91)79(58-45-46-78-66(51-58)65-33-15-18-44-77(65)95-78)85(92-70-39-17-14-32-64(70)68-53-89-50-48-72(68)92)87(90-86)94-75-42-21-36-61(56-27-9-3-10-28-56)82(75)83-62(37-22-43-76(83)94)57-29-11-4-12-30-57/h1-53H
InChIKeyAKYIYIUKJBEDTK-UHFFFAOYSA-N
XLogP22.49
TPSA71.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001212.43
LogP ≤ 522.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole (CID 146250425) is 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2cccc3c2c2c(-c4ccccc4)cccc2n3-c2nc(-n3c4cccc(-c5ccccc5)c4c4c(-c5ccccc5)cccc43)c(-n3c4ccccc4c4cnccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccccc3c3cnccc32)cc1.
What is the InChIKey of 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is AKYIYIUKJBEDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H53N7O/c1-5-23-54(24-6-1)59-34-19-40-73-80(59)81-60(55-25-7-2-8-26-55)35-20-41-74(81)93(73)86-84(91-69-38-16-13-31-63(69)67-52-88-49-47-71(67)91)79(58-45-46-78-66(51-58)65-33-15-18-44-77(65)95-78)85(92-70-39-17-14-32-64(70)68-53-89-50-48-72(68)92)87(90-86)94-75-42-21-36-61(56-27-9-3-10-28-56)82(75)83-62(37-22-43-76(83)94)57-29-11-4-12-30-57/h1-53H.
What are the key properties of 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole?
5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1212.43 g/mol, XLogP of 22.49, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-2-yl-2,6-bis(4,5-diphenylcarbazol-9-yl)-5-pyrido[4,3-b]indol-5-yl-3-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 146250425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).