9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole

C92H58N6O — CID 58501556

IUPAC9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cc(-c9ccccc9-c9ccccn9)ccc87)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C92H58N6O/c1-5-27-73(83-31-9-13-47-93-83)69(23-1)63-35-41-87-77(55-63)78-56-64(70-24-2-6-28-74(70)84-32-10-14-48-94-84)36-42-88(78)97(87)67-21-17-19-59(51-67)61-39-45-91-81(53-61)82-54-62(40-46-92(82)99-91)60-20-18-22-68(52-60)98-89-43-37-65(71-25-3-7-29-75(71)85-33-11-15-49-95-85)57-79(89)80-58-66(38-44-90(80)98)72-26-4-8-30-76(72)86-34-12-16-50-96-86/h1-58H
InChIKeyCAUCVXVZTOZHDK-UHFFFAOYSA-N
MW1263.52 g/mol
LogP24.03
Rot. Bonds12

About 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole

9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole (PubChem CID 58501556) has the molecular formula C92H58N6O and a molecular weight of 1263.52 g/mol. Its IUPAC name is 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole.

Molecular Properties

Compound Name9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
PubChem CID58501556
Molecular FormulaC92H58N6O
Molecular Weight1263.52 g/mol
Exact Mass1262.47
IUPAC Name9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cc(-c9ccccc9-c9ccccn9)ccc87)c6)cc5c4c3)c2)nc1
InChIInChI=1S/C92H58N6O/c1-5-27-73(83-31-9-13-47-93-83)69(23-1)63-35-41-87-77(55-63)78-56-64(70-24-2-6-28-74(70)84-32-10-14-48-94-84)36-42-88(78)97(87)67-21-17-19-59(51-67)61-39-45-91-81(53-61)82-54-62(40-46-92(82)99-91)60-20-18-22-68(52-60)98-89-43-37-65(71-25-3-7-29-75(71)85-33-11-15-49-95-85)57-79(89)80-58-66(38-44-90(80)98)72-26-4-8-30-76(72)86-34-12-16-50-96-86/h1-58H
InChIKeyCAUCVXVZTOZHDK-UHFFFAOYSA-N
XLogP24.03
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001263.52
LogP ≤ 524.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The IUPAC name of 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole (CID 58501556) is 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole.
What is the SMILES notation for 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The canonical SMILES for 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2cccc(-c3ccc4oc5ccc(-c6cccc(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8cc(-c9ccccc9-c9ccccn9)ccc87)c6)cc5c4c3)c2)nc1.
What is the InChIKey of 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
The InChIKey is CAUCVXVZTOZHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H58N6O/c1-5-27-73(83-31-9-13-47-93-83)69(23-1)63-35-41-87-77(55-63)78-56-64(70-24-2-6-28-74(70)84-32-10-14-48-94-84)36-42-88(78)97(87)67-21-17-19-59(51-67)61-39-45-91-81(53-61)82-54-62(40-46-92(82)99-91)60-20-18-22-68(52-60)98-89-43-37-65(71-25-3-7-29-75(71)85-33-11-15-49-95-85)57-79(89)80-58-66(38-44-90(80)98)72-26-4-8-30-76(72)86-34-12-16-50-96-86/h1-58H.
What are the key properties of 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole?
9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole has a molecular weight of 1263.52 g/mol, XLogP of 24.03, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[8-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]phenyl]-3,6-bis(2-pyridin-2-ylphenyl)carbazole is sourced from PubChem (CID 58501556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).