3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole

C58H35NO2 — CID 176745675

IUPAC3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2cccc(-c3c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc35)c24)cc1
InChIInChI=1S/C58H35NO2/c1-4-17-36(18-5-1)55-47-34-52-48(35-53(47)61-58(55)37-19-6-2-7-20-37)57-45(28-16-30-51(57)60-52)56-43-26-12-10-24-41(43)54(42-25-11-13-27-44(42)56)38-31-32-50-46(33-38)40-23-14-15-29-49(40)59(50)39-21-8-3-9-22-39/h1-35H
InChIKeyYKQQWQPDWLHJLX-UHFFFAOYSA-N
MW777.92 g/mol
LogP16.40
Rot. Bonds5

About 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole

3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole (PubChem CID 176745675) has the molecular formula C58H35NO2 and a molecular weight of 777.92 g/mol. Its IUPAC name is 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
PubChem CID176745675
Molecular FormulaC58H35NO2
Molecular Weight777.92 g/mol
Exact Mass777.27
IUPAC Name3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2cccc(-c3c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc35)c24)cc1
InChIInChI=1S/C58H35NO2/c1-4-17-36(18-5-1)55-47-34-52-48(35-53(47)61-58(55)37-19-6-2-7-20-37)57-45(28-16-30-51(57)60-52)56-43-26-12-10-24-41(43)54(42-25-11-13-27-44(42)56)38-31-32-50-46(33-38)40-23-14-15-29-49(40)59(50)39-21-8-3-9-22-39/h1-35H
InChIKeyYKQQWQPDWLHJLX-UHFFFAOYSA-N
XLogP16.40
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.92
LogP ≤ 516.40
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

9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176743067
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176744439
9-phenyl-4-[10-(2-phenyl-[1]benzofuro[6,5-b][1]benzofuran-3-yl)anthracen-9-yl]carbazole
CID 176744301
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
CID 176745422
9-phenyl-3-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 146414179
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305

Frequently Asked Questions

What is the IUPAC name of 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The IUPAC name of 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole (CID 176745675) is 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2cccc(-c3c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc35)c24)cc1.
What is the InChIKey of 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole?
The InChIKey is YKQQWQPDWLHJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO2/c1-4-17-36(18-5-1)55-47-34-52-48(35-53(47)61-58(55)37-19-6-2-7-20-37)57-45(28-16-30-51(57)60-52)56-43-26-12-10-24-41(43)54(42-25-11-13-27-44(42)56)38-31-32-50-46(33-38)40-23-14-15-29-49(40)59(50)39-21-8-3-9-22-39/h1-35H.
What are the key properties of 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole?
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole has a molecular weight of 777.92 g/mol, XLogP of 16.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole is sourced from PubChem (CID 176745675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).