10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran

C56H32O — CID 170940382

IUPAC10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5cc6ccc7ccccc7c6c6ccccc56)c4oc32)cc1
InChIInChI=1S/C56H32O/c1-2-10-33(11-3-1)40-18-9-19-47-44(40)28-29-48-50-31-39(41-26-24-37-22-21-35-13-8-14-36-25-27-46(41)54(37)52(35)36)32-51(56(50)57-55(47)48)49-30-38-23-20-34-12-4-5-15-42(34)53(38)45-17-7-6-16-43(45)49/h1-32H
InChIKeyZGEPACIHNYSVTH-UHFFFAOYSA-N
MW720.87 g/mol
LogP16.10
Rot. Bonds3

About 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran

10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran (PubChem CID 170940382) has the molecular formula C56H32O and a molecular weight of 720.87 g/mol. Its IUPAC name is 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
PubChem CID170940382
Molecular FormulaC56H32O
Molecular Weight720.87 g/mol
Exact Mass720.25
IUPAC Name10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5cc6ccc7ccccc7c6c6ccccc56)c4oc32)cc1
InChIInChI=1S/C56H32O/c1-2-10-33(11-3-1)40-18-9-19-47-44(40)28-29-48-50-31-39(41-26-24-37-22-21-35-13-8-14-36-25-27-46(41)54(37)52(35)36)32-51(56(50)57-55(47)48)49-30-38-23-20-34-12-4-5-15-42(34)53(38)45-17-7-6-16-43(45)49/h1-32H
InChIKeyZGEPACIHNYSVTH-UHFFFAOYSA-N
XLogP16.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran 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

8,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940136
10-benzo[a]anthracen-7-yl-4-phenyl-8-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940124
8-phenanthren-1-yl-10-pyren-1-ylnaphtho[2,1-b][1]benzofuran
CID 170940452
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 170940335
2-naphthalen-1-yl-4-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940252
4-benzo[c]phenanthren-2-yl-2-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170940405
4-phenanthren-9-yl-2-pyren-1-ylnaphtho[2,3-b][1]benzofuran
CID 170939783
1-[4-[5-(4-phenylphenyl)-3-pyren-1-ylnaphthalen-1-yl]naphthalen-2-yl]pyrene
CID 169303128
4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
7-pyren-1-yl-10-pyren-2-ylnaphtho[1,2-b][1]benzofuran
CID 170939990
2-pyren-1-ylperylene
CID 91500760

Frequently Asked Questions

What is the IUPAC name of 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The IUPAC name of 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran (CID 170940382) is 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran is c1ccc(-c2cccc3c2ccc2c4cc(-c5ccc6ccc7cccc8ccc5c6c78)cc(-c5cc6ccc7ccccc7c6c6ccccc56)c4oc32)cc1.
What is the InChIKey of 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
The InChIKey is ZGEPACIHNYSVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32O/c1-2-10-33(11-3-1)40-18-9-19-47-44(40)28-29-48-50-31-39(41-26-24-37-22-21-35-13-8-14-36-25-27-46(41)54(37)52(35)36)32-51(56(50)57-55(47)48)49-30-38-23-20-34-12-4-5-15-42(34)53(38)45-17-7-6-16-43(45)49/h1-32H.
What are the key properties of 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran?
10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran has a molecular weight of 720.87 g/mol, XLogP of 16.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[c]phenanthren-5-yl-4-phenyl-8-pyren-1-ylnaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170940382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).