2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

C52H36N2O2 — CID 170261095

IUPAC2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2cccc(CCC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H36N2O2/c1-4-16-35(17-5-1)37-20-14-15-34(31-37)27-29-40(38-28-30-47-43(32-38)41-23-10-12-25-46(41)54(47)39-21-8-3-9-22-39)44-33-45-51(56-52(53-45)36-18-6-2-7-19-36)49-42-24-11-13-26-48(42)55-50(44)49/h1-26,28,30-33,40H,27,29H2
InChIKeyATTHGPQWHGSISO-UHFFFAOYSA-N
MW720.87 g/mol
LogP13.92
Rot. Bonds8

About 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole

2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 170261095) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID170261095
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESc1ccc(-c2cccc(CCC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C52H36N2O2/c1-4-16-35(17-5-1)37-20-14-15-34(31-37)27-29-40(38-28-30-47-43(32-38)41-23-10-12-25-46(41)54(47)39-21-8-3-9-22-39)44-33-45-51(56-52(53-45)36-18-6-2-7-19-36)49-42-24-11-13-26-48(42)55-50(44)49/h1-26,28,30-33,40H,27,29H2
InChIKeyATTHGPQWHGSISO-UHFFFAOYSA-N
XLogP13.92
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole 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

2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 167452861
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-4-amine
CID 167129379
3-[1-(4-carbazol-9-ylphenyl)-3-[3-(4-phenylphenyl)phenyl]propyl]-[1]benzofuro[2,3-b]pyridine
CID 170177073
5-methyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-7-propan-2-yl-1,3-benzoxazole
CID 59228151
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064
2-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzothiolo[2,3-g][1,3]benzoxazole
CID 167453652
6-ethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59227964
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 170261095) is 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is c1ccc(-c2cccc(CCC(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4nc(-c5ccccc5)oc4c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is ATTHGPQWHGSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-4-16-35(17-5-1)37-20-14-15-34(31-37)27-29-40(38-28-30-47-43(32-38)41-23-10-12-25-46(41)54(47)39-21-8-3-9-22-39)44-33-45-51(56-52(53-45)36-18-6-2-7-19-36)49-42-24-11-13-26-48(42)55-50(44)49/h1-26,28,30-33,40H,27,29H2.
What are the key properties of 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole?
2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 720.87 g/mol, XLogP of 13.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[1-(9-phenylcarbazol-3-yl)-3-(3-phenylphenyl)propyl]-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 170261095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).