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

C100H62N6O — CID 151990198

IUPAC5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C100H62N6O/c1-7-23-63(24-8-1)69-39-46-87-78(55-69)79-56-70(64-25-9-2-10-26-64)40-47-88(79)103(87)97-96(75-45-52-95-84(61-75)77-36-20-22-38-94(77)107-95)98(104-89-48-41-71(65-27-11-3-12-28-65)57-80(89)81-58-72(42-49-90(81)104)66-29-13-4-14-30-66)100(102-99(97)105-86-37-21-19-35-76(86)85-62-101-54-53-93(85)105)106-91-50-43-73(67-31-15-5-16-32-67)59-82(91)83-60-74(44-51-92(83)106)68-33-17-6-18-34-68/h1-62H
InChIKeyUEMWCZZOSFBFNL-UHFFFAOYSA-N
MW1363.64 g/mol
LogP26.43
Rot. Bonds11

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

5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 151990198) has the molecular formula C100H62N6O and a molecular weight of 1363.64 g/mol. Its IUPAC name is 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole
PubChem CID151990198
Molecular FormulaC100H62N6O
Molecular Weight1363.64 g/mol
Exact Mass1362.50
IUPAC Name5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1
InChIInChI=1S/C100H62N6O/c1-7-23-63(24-8-1)69-39-46-87-78(55-69)79-56-70(64-25-9-2-10-26-64)40-47-88(79)103(87)97-96(75-45-52-95-84(61-75)77-36-20-22-38-94(77)107-95)98(104-89-48-41-71(65-27-11-3-12-28-65)57-80(89)81-58-72(42-49-90(81)104)66-29-13-4-14-30-66)100(102-99(97)105-86-37-21-19-35-76(86)85-62-101-54-53-93(85)105)106-91-50-43-73(67-31-15-5-16-32-67)59-82(91)83-60-74(44-51-92(83)106)68-33-17-6-18-34-68/h1-62H
InChIKeyUEMWCZZOSFBFNL-UHFFFAOYSA-N
XLogP26.43
TPSA58.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001363.64
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole (CID 151990198) is 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2nc(-n3c4ccccc4c4cnccc43)c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3ccc4oc5ccccc5c4c3)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.
What is the InChIKey of 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole?
The InChIKey is UEMWCZZOSFBFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62N6O/c1-7-23-63(24-8-1)69-39-46-87-78(55-69)79-56-70(64-25-9-2-10-26-64)40-47-88(79)103(87)97-96(75-45-52-95-84(61-75)77-36-20-22-38-94(77)107-95)98(104-89-48-41-71(65-27-11-3-12-28-65)57-80(89)81-58-72(42-49-90(81)104)66-29-13-4-14-30-66)100(102-99(97)105-86-37-21-19-35-76(86)85-62-101-54-53-93(85)105)106-91-50-43-73(67-31-15-5-16-32-67)59-82(91)83-60-74(44-51-92(83)106)68-33-17-6-18-34-68/h1-62H.
What are the key properties of 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole?
5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 1363.64 g/mol, XLogP of 26.43, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-dibenzofuran-2-yl-3,5,6-tris(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 151990198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).