3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine

C76H46N6O2 — CID 157254942

IUPAC3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C41H25N3O.C35H21N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38/h1-25H;1-21H
InChIKeyAWTWOYHZNMEWLQ-UHFFFAOYSA-N
MW1075.24 g/mol
LogP20.02
Rot. Bonds5

About 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine

3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 157254942) has the molecular formula C76H46N6O2 and a molecular weight of 1075.24 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID157254942
Molecular FormulaC76H46N6O2
Molecular Weight1075.24 g/mol
Exact Mass1074.37
IUPAC Name3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc(-c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1
InChIInChI=1S/C41H25N3O.C35H21N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38/h1-25H;1-21H
InChIKeyAWTWOYHZNMEWLQ-UHFFFAOYSA-N
XLogP20.02
TPSA71.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.24
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
6-carbazol-9-yl-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329821
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
[6-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-b]pyridin-3-yl]-triphenylsilane
CID 156664880
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine (CID 157254942) is 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc(-c2ccc3oc4ncc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc4c3c2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2oc3ncc(-n4c5ccccc5c5ccccc54)cc3c2c1.
What is the InChIKey of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is AWTWOYHZNMEWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O.C35H21N3O/c1-2-10-26(11-3-1)27-18-21-40-34(22-27)35-24-29(25-42-41(35)45-40)44-38-17-9-6-14-32(38)33-23-28(19-20-39(33)44)43-36-15-7-4-12-30(36)31-13-5-8-16-37(31)43;1-5-13-30-24(9-1)25-10-2-6-14-31(25)37(30)22-17-18-34-28(19-22)29-20-23(21-36-35(29)39-34)38-32-15-7-3-11-26(32)27-12-4-8-16-33(27)38/h1-25H;1-21H.
What are the key properties of 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine?
3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 1075.24 g/mol, XLogP of 20.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-[1]benzofuro[2,3-b]pyridine;3,6-di(carbazol-9-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 157254942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).