2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C55H34N2O2 — CID 145140998

IUPAC2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(Cc2cccc(-n3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4c4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C55H34N2O2/c1-3-12-34(13-4-1)26-35-14-11-17-39(27-35)57-49-29-37(22-24-41(49)44-30-46-42-19-8-10-21-52(42)58-54(46)33-51(44)57)36-23-25-53-45(28-36)47-31-43-40-18-7-9-20-48(40)56(38-15-5-2-6-16-38)50(43)32-55(47)59-53/h1-25,27-33H,26H2
InChIKeyINEPBCADRKCRNO-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.94
Rot. Bonds5

About 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 145140998) has the molecular formula C55H34N2O2 and a molecular weight of 754.89 g/mol. Its IUPAC name is 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID145140998
Molecular FormulaC55H34N2O2
Molecular Weight754.89 g/mol
Exact Mass754.26
IUPAC Name2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(Cc2cccc(-n3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4c4cc5c(cc43)oc3ccccc35)c2)cc1
InChIInChI=1S/C55H34N2O2/c1-3-12-34(13-4-1)26-35-14-11-17-39(27-35)57-49-29-37(22-24-41(49)44-30-46-42-19-8-10-21-52(42)58-54(46)33-51(44)57)36-23-25-53-45(28-36)47-31-43-40-18-7-9-20-48(40)56(38-15-5-2-6-16-38)50(43)32-55(47)59-53/h1-25,27-33H,26H2
InChIKeyINEPBCADRKCRNO-UHFFFAOYSA-N
XLogP14.94
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
9-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-2,6-diphenylcarbazole
CID 166927950
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
7-phenyl-9-(14-phenyl-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-nonaen-18-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223509
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 145140998) is 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is c1ccc(Cc2cccc(-n3c4cc(-c5ccc6oc7cc8c(cc7c6c5)c5ccccc5n8-c5ccccc5)ccc4c4cc5c(cc43)oc3ccccc35)c2)cc1.
What is the InChIKey of 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is INEPBCADRKCRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O2/c1-3-12-34(13-4-1)26-35-14-11-17-39(27-35)57-49-29-37(22-24-41(49)44-30-46-42-19-8-10-21-52(42)58-54(46)33-51(44)57)36-23-25-53-45(28-36)47-31-43-40-18-7-9-20-48(40)56(38-15-5-2-6-16-38)50(43)32-55(47)59-53/h1-25,27-33H,26H2.
What are the key properties of 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 754.89 g/mol, XLogP of 14.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-benzylphenyl)-[1]benzofuro[2,3-b]carbazol-9-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 145140998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).