2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176744002

IUPAC2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7ccoc7cc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-11-30(12-3-1)47-40-20-9-8-13-31(40)32-22-21-29(25-41(32)47)44-33-14-4-6-16-35(33)45(36-17-7-5-15-34(36)44)38-19-10-18-37-39-27-42-28(23-24-48-42)26-43(39)49-46(37)38/h1-27H
InChIKeyQCNBPORUNPZIET-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole

2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176744002) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176744002
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7ccoc7cc56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-11-30(12-3-1)47-40-20-9-8-13-31(40)32-22-21-29(25-41(32)47)44-33-14-4-6-16-35(33)45(36-17-7-5-15-34(36)44)38-19-10-18-37-39-27-42-28(23-24-48-42)26-43(39)49-46(37)38/h1-27H
InChIKeyQCNBPORUNPZIET-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

7-(10-dibenzofuran-4-ylanthracen-9-yl)-[1]benzofuro[5,6-b][1]benzofuran
CID 176746173
2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745473
8-(10-dibenzofuran-3-ylanthracen-9-yl)-[1]benzofuro[6,5-b][1]benzofuran
CID 176743779
3-[10-([1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744622
2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole
CID 159221767
2-[10-([1]benzofuro[7,6-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744299
2-(10-dibenzofuran-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;2-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)-9-phenylcarbazole;9-[3-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole;9-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]carbazole
CID 159826191
9-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165375461
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-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743446
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994

Frequently Asked Questions

What is the IUPAC name of 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176744002) is 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5cccc6c5oc5cc7ccoc7cc56)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is QCNBPORUNPZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-11-30(12-3-1)47-40-20-9-8-13-31(40)32-22-21-29(25-41(32)47)44-33-14-4-6-16-35(33)45(36-17-7-5-15-34(36)44)38-19-10-18-37-39-27-42-28(23-24-48-42)26-43(39)49-46(37)38/h1-27H.
What are the key properties of 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole?
2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-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 2-[10-([1]benzofuro[5,6-b][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176744002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).