N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine

C48H31NO — CID 167182926

IUPACN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H31NO/c1-2-10-33(11-3-1)40-13-6-8-16-45(40)49(39-28-29-47-44(31-39)42-15-7-9-17-46(42)50-47)38-26-24-32(25-27-38)37-23-20-35-19-22-36-21-18-34-12-4-5-14-41(34)48(36)43(35)30-37/h1-31H
InChIKeyUUZPGHJUPOZWHR-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine

N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 167182926) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID167182926
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H31NO/c1-2-10-33(11-3-1)40-13-6-8-16-45(40)49(39-28-29-47-44(31-39)42-15-7-9-17-46(42)50-47)38-26-24-32(25-27-38)37-23-20-35-19-22-36-21-18-34-12-4-5-14-41(34)48(36)43(35)30-37/h1-31H
InChIKeyUUZPGHJUPOZWHR-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-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-benzo[c]phenanthren-2-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 167183418
N-chrysen-1-yl-N-dibenzofuran-2-yldibenzofuran-2-amine;N-chrysen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-chrysen-3-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 165048813
N-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177100194
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-2-amine
CID 169062264
N-(2-dibenzofuran-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-2-amine
CID 167325738
N-(4-dibenzofuran-2-ylphenyl)-2-phenanthren-2-yl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(3-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-3-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenanthren-2-ylphenyl)phenyl]-4-phenylaniline
CID 157300254
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464

Frequently Asked Questions

What is the IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 167182926) is N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4ccc5ccc6ccccc6c5c4c3)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is UUZPGHJUPOZWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-10-33(11-3-1)40-13-6-8-16-45(40)49(39-28-29-47-44(31-39)42-15-7-9-17-46(42)50-47)38-26-24-32(25-27-38)37-23-20-35-19-22-36-21-18-34-12-4-5-14-41(34)48(36)43(35)30-37/h1-31H.
What are the key properties of N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 167182926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).