9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole

C52H31NO2 — CID 176744439

IUPAC9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2oc3ccc4oc5ccccc5c4c3c2-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-3-15-32(16-4-1)52-51(50-46(55-52)30-29-45-49(50)40-24-12-14-26-44(40)54-45)48-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)48)33-27-28-43-41(31-33)35-19-11-13-25-42(35)53(43)34-17-5-2-6-18-34/h1-31H
InChIKeyPSZMAMMXJPXHCI-UHFFFAOYSA-N
MW701.83 g/mol
LogP14.74
Rot. Bonds4

About 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole

9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole (PubChem CID 176744439) has the molecular formula C52H31NO2 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
PubChem CID176744439
Molecular FormulaC52H31NO2
Molecular Weight701.83 g/mol
Exact Mass701.24
IUPAC Name9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole
SMILESc1ccc(-c2oc3ccc4oc5ccccc5c4c3c2-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C52H31NO2/c1-3-15-32(16-4-1)52-51(50-46(55-52)30-29-45-49(50)40-24-12-14-26-44(40)54-45)48-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)48)33-27-28-43-41(31-33)35-19-11-13-25-42(35)53(43)34-17-5-2-6-18-34/h1-31H
InChIKeyPSZMAMMXJPXHCI-UHFFFAOYSA-N
XLogP14.74
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 514.74
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-(2-phenyl-[1]benzofuro[5,6-b][1]benzofuran-1-yl)anthracen-9-yl]carbazole
CID 176743067
14-phenyl-18-(9-phenylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 118298646
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
CID 176745422
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
3-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-5-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176745675
2-[10-([1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176743582
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
2-[10-(2,3-diphenyl-[1]benzofuro[2,3-g][1]benzofuran-8-yl)anthracen-9-yl]-9-phenylcarbazole
CID 176744039
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole?
The IUPAC name of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole (CID 176744439) is 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole is c1ccc(-c2oc3ccc4oc5ccccc5c4c3c2-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole?
The InChIKey is PSZMAMMXJPXHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NO2/c1-3-15-32(16-4-1)52-51(50-46(55-52)30-29-45-49(50)40-24-12-14-26-44(40)54-45)48-38-22-9-7-20-36(38)47(37-21-8-10-23-39(37)48)33-27-28-43-41(31-33)35-19-11-13-25-42(35)53(43)34-17-5-2-6-18-34/h1-31H.
What are the key properties of 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole?
9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole has a molecular weight of 701.83 g/mol, XLogP of 14.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[10-(2-phenyl-[1]benzofuro[3,2-e][1]benzofuran-1-yl)anthracen-9-yl]carbazole is sourced from PubChem (CID 176744439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).