3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176745672

IUPAC3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6ccoc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-40-20-10-8-14-30(40)37-26-28(22-23-41(37)47)43-32-16-4-6-18-34(32)44(35-19-7-5-17-33(35)43)39-27-38-31-15-9-11-21-42(31)49-46(38)36-24-25-48-45(36)39/h1-27H
InChIKeyRLPYNBGPAPSZCY-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole

3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176745672) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176745672
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6ccoc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-40-20-10-8-14-30(40)37-26-28(22-23-41(37)47)43-32-16-4-6-18-34(32)44(35-19-7-5-17-33(35)43)39-27-38-31-15-9-11-21-42(31)49-46(38)36-24-25-48-45(36)39/h1-27H
InChIKeyRLPYNBGPAPSZCY-UHFFFAOYSA-N
XLogP13.07
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[10-([1]benzofuro[7,6-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744299
3-[10-([1]benzofuro[3,2-g][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176746053
2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745473
3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744622
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[6,7-b][1]benzofuran-5-yl)anthracen-9-yl]carbazole
CID 176745637
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743446
3-[10-[6-[4-[4-(10-dibenzofuran-2-ylanthracen-9-yl)carbazol-9-yl]phenyl]dibenzofuran-2-yl]anthracen-9-yl]-9-phenylcarbazole
CID 170302335
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800

Frequently Asked Questions

What is the IUPAC name of 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176745672) is 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5cc6c7ccccc7oc6c6ccoc56)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is RLPYNBGPAPSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-40-20-10-8-14-30(40)37-26-28(22-23-41(37)47)43-32-16-4-6-18-34(32)44(35-19-7-5-17-33(35)43)39-27-38-31-15-9-11-21-42(31)49-46(38)36-24-25-48-45(36)39/h1-27H.
What are the key properties of 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 625.73 g/mol, XLogP of 13.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-([1]benzofuro[4,5-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176745672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).