2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole

C46H27NO2 — CID 176743446

IUPAC2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7c8ccccc8oc7c56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-39-20-10-8-14-30(39)31-23-22-28(26-40(31)47)43-33-16-4-6-18-35(33)44(36-19-7-5-17-34(36)43)38-27-48-42-25-24-37-32-15-9-11-21-41(32)49-46(37)45(38)42/h1-27H
InChIKeyGNWZNMDZZSZYBI-UHFFFAOYSA-N
MW625.73 g/mol
LogP13.07
Rot. Bonds3

About 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole

2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176743446) has the molecular formula C46H27NO2 and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176743446
Molecular FormulaC46H27NO2
Molecular Weight625.73 g/mol
Exact Mass625.20
IUPAC Name2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7c8ccccc8oc7c56)c5ccccc45)cc32)cc1
InChIInChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-39-20-10-8-14-30(39)31-23-22-28(26-40(31)47)43-33-16-4-6-18-35(33)44(36-19-7-5-17-34(36)43)38-27-48-42-25-24-37-32-15-9-11-21-41(32)49-46(37)45(38)42/h1-27H
InChIKeyGNWZNMDZZSZYBI-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[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743582
1-(10-dibenzofuran-2-ylanthracen-9-yl)-[1]benzofuro[4,5-b][1]benzofuran
CID 176744419
2-[2-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-9-phenylcarbazole
CID 155454186
2-[10-([1]benzofuro[7,6-b][1]benzofuran-4-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744299
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744389
2-[10-([1]benzofuro[4,5-b][1]benzofuran-7-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745473
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
9-phenyl-2-[10-(3-phenyl-[1]benzofuro[6,5-b][1]benzofuran-7-yl)anthracen-9-yl]carbazole
CID 176744120
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[7,6-b][1]benzofuran-8-yl)anthracen-9-yl]carbazole
CID 176743530
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126
9-phenyl-4-[10-(1-phenyl-[1]benzofuro[4,5-b][1]benzofuran-9-yl)anthracen-9-yl]carbazole
CID 176744049
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130

Frequently Asked Questions

What is the IUPAC name of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176743446) is 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4c5ccccc5c(-c5coc6ccc7c8ccccc8oc7c56)c5ccccc45)cc32)cc1.
What is the InChIKey of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is GNWZNMDZZSZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO2/c1-2-12-29(13-3-1)47-39-20-10-8-14-30(39)31-23-22-28(26-40(31)47)43-33-16-4-6-18-35(33)44(36-19-7-5-17-34(36)43)38-27-48-42-25-24-37-32-15-9-11-21-41(32)49-46(37)45(38)42/h1-27H.
What are the key properties of 2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole?
2-[10-([1]benzofuro[4,5-b][1]benzofuran-1-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[4,5-b][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176743446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).