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

C76H47N5O — CID 58099750

IUPAC3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C76H47N5O/c1-2-18-52(19-3-1)79-68-29-11-8-24-58(68)61-42-48(32-36-71(61)79)49-35-39-75-64(43-49)65-46-53(80-69-30-12-9-25-59(69)62-44-50(33-37-72(62)80)54-20-4-6-22-56(54)66-27-14-16-40-77-66)47-74(76(65)82-75)81-70-31-13-10-26-60(70)63-45-51(34-38-73(63)81)55-21-5-7-23-57(55)67-28-15-17-41-78-67/h1-47H
InChIKeyORKGGYSLJIJAPD-UHFFFAOYSA-N
MW1046.25 g/mol
LogP20.00
Rot. Bonds8

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

3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 58099750) has the molecular formula C76H47N5O and a molecular weight of 1046.25 g/mol. Its IUPAC name is 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID58099750
Molecular FormulaC76H47N5O
Molecular Weight1046.25 g/mol
Exact Mass1045.38
IUPAC Name3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc6c5c4)ccc32)cc1
InChIInChI=1S/C76H47N5O/c1-2-18-52(19-3-1)79-68-29-11-8-24-58(68)61-42-48(32-36-71(61)79)49-35-39-75-64(43-49)65-46-53(80-69-30-12-9-25-59(69)62-44-50(33-37-72(62)80)54-20-4-6-22-56(54)66-27-14-16-40-77-66)47-74(76(65)82-75)81-70-31-13-10-26-60(70)63-45-51(34-38-73(63)81)55-21-5-7-23-57(55)67-28-15-17-41-78-67/h1-47H
InChIKeyORKGGYSLJIJAPD-UHFFFAOYSA-N
XLogP20.00
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001046.25
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 58099750) is 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc(-n7c8ccccc8c8cc(-c9ccccc9-c9ccccn9)ccc87)cc6c5c4)ccc32)cc1.
What is the InChIKey of 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is ORKGGYSLJIJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H47N5O/c1-2-18-52(19-3-1)79-68-29-11-8-24-58(68)61-42-48(32-36-71(61)79)49-35-39-75-64(43-49)65-46-53(80-69-30-12-9-25-59(69)62-44-50(33-37-72(62)80)54-20-4-6-22-56(54)66-27-14-16-40-77-66)47-74(76(65)82-75)81-70-31-13-10-26-60(70)63-45-51(34-38-73(63)81)55-21-5-7-23-57(55)67-28-15-17-41-78-67/h1-47H.
What are the key properties of 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole?
3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 1046.25 g/mol, XLogP of 20.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6,8-bis[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 58099750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).