6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine

C101H59N5O3 — CID 134566160

IUPAC6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6cc5-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cc3c3cc(-c4cc5c(cc4-c4cccc6c4oc4cccnc46)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C101H59N5O3/c1-3-24-65(25-4-1)103-88-48-45-61(53-81(88)82-55-64(46-49-89(82)103)78-59-93-84(68-29-7-12-37-85(68)104(93)66-26-5-2-6-27-66)57-79(78)74-33-18-36-75-98-97(109-99(74)75)44-21-51-102-98)60-22-17-23-62(52-60)76-56-83-69-30-9-14-39-87(69)106(92-41-20-35-73-71-32-11-16-43-96(71)108-101(73)92)94(83)58-77(76)63-47-50-90-80(54-63)67-28-8-13-38-86(67)105(90)91-40-19-34-72-70-31-10-15-42-95(70)107-100(72)91/h1-59H
InChIKeyXSQXCZISBQCDDG-UHFFFAOYSA-N
MW1390.62 g/mol
LogP27.50
Rot. Bonds9

About 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine

6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 134566160) has the molecular formula C101H59N5O3 and a molecular weight of 1390.62 g/mol. Its IUPAC name is 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
PubChem CID134566160
Molecular FormulaC101H59N5O3
Molecular Weight1390.62 g/mol
Exact Mass1389.46
IUPAC Name6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-n2c3ccc(-c4cccc(-c5cc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6cc5-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cc3c3cc(-c4cc5c(cc4-c4cccc6c4oc4cccnc46)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C101H59N5O3/c1-3-24-65(25-4-1)103-88-48-45-61(53-81(88)82-55-64(46-49-89(82)103)78-59-93-84(68-29-7-12-37-85(68)104(93)66-26-5-2-6-27-66)57-79(78)74-33-18-36-75-98-97(109-99(74)75)44-21-51-102-98)60-22-17-23-62(52-60)76-56-83-69-30-9-14-39-87(69)106(92-41-20-35-73-71-32-11-16-43-96(71)108-101(73)92)94(83)58-77(76)63-47-50-90-80(54-63)67-28-8-13-38-86(67)105(90)91-40-19-34-72-70-31-10-15-42-95(70)107-100(72)91/h1-59H
InChIKeyXSQXCZISBQCDDG-UHFFFAOYSA-N
XLogP27.50
TPSA72.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001390.62
LogP ≤ 527.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine (CID 134566160) is 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-n2c3ccc(-c4cccc(-c5cc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6cc5-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)c4)cc3c3cc(-c4cc5c(cc4-c4cccc6c4oc4cccnc46)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is XSQXCZISBQCDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H59N5O3/c1-3-24-65(25-4-1)103-88-48-45-61(53-81(88)82-55-64(46-49-89(82)103)78-59-93-84(68-29-7-12-37-85(68)104(93)66-26-5-2-6-27-66)57-79(78)74-33-18-36-75-98-97(109-99(74)75)44-21-51-102-98)60-22-17-23-62(52-60)76-56-83-69-30-9-14-39-87(69)106(92-41-20-35-73-71-32-11-16-43-96(71)108-101(73)92)94(83)58-77(76)63-47-50-90-80(54-63)67-28-8-13-38-86(67)105(90)91-40-19-34-72-70-31-10-15-42-95(70)107-100(72)91/h1-59H.
What are the key properties of 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine?
6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1390.62 g/mol, XLogP of 27.50, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-[3-[9-dibenzofuran-4-yl-2-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 134566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).