N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C54H33NO2 — CID 171739196

IUPACN-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-15-35(16-3-1)50-42-21-8-6-18-39(42)40-19-7-9-22-43(40)51(50)36-28-31-37(32-29-36)55(47-25-12-23-44-41-20-10-11-26-48(41)56-54(44)47)46-24-13-27-49-52(46)45-33-30-34-14-4-5-17-38(34)53(45)57-49/h1-33H
InChIKeyICXGTUKYLPWWDQ-UHFFFAOYSA-N
MW727.86 g/mol
LogP15.75
Rot. Bonds5

About N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739196) has the molecular formula C54H33NO2 and a molecular weight of 727.86 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739196
Molecular FormulaC54H33NO2
Molecular Weight727.86 g/mol
Exact Mass727.25
IUPAC NameN-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc3c3ccccc23)cc1
InChIInChI=1S/C54H33NO2/c1-2-15-35(16-3-1)50-42-21-8-6-18-39(42)40-19-7-9-22-43(40)51(50)36-28-31-37(32-29-36)55(47-25-12-23-44-41-20-10-11-26-48(41)56-54(44)47)46-24-13-27-49-52(46)45-33-30-34-14-4-5-17-38(34)53(45)57-49/h1-33H
InChIKeyICXGTUKYLPWWDQ-UHFFFAOYSA-N
XLogP15.75
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.86
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine 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

N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739242
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 169063637
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-dibenzofuran-2-yl-N-[3-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738912
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738107
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-(4-dibenzofuran-4-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739445
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804017
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169064652
N-dibenzothiophen-3-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738987

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171739196) is N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2c(-c3ccc(N(c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c3ccccc3c3ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is ICXGTUKYLPWWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO2/c1-2-15-35(16-3-1)50-42-21-8-6-18-39(42)40-19-7-9-22-43(40)51(50)36-28-31-37(32-29-36)55(47-25-12-23-44-41-20-10-11-26-48(41)56-54(44)47)46-24-13-27-49-52(46)45-33-30-34-14-4-5-17-38(34)53(45)57-49/h1-33H.
What are the key properties of N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 727.86 g/mol, XLogP of 15.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).