N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline

C52H38F3NO — CID 170254540

IUPACN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
SMILESFC1CC(F)C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)C(F)C1
InChIInChI=1S/C52H38F3NO/c53-38-31-46(54)48(47(55)32-38)35-22-27-41(28-23-35)56(39-16-8-3-9-17-39)40-25-20-33(21-26-40)37-24-29-43-42-18-10-11-19-44(42)50-49(34-12-4-1-5-13-34)51(36-14-6-2-7-15-36)57-52(50)45(43)30-37/h1-30,38,46-48H,31-32H2
InChIKeyINZWNLTWEODNRE-UHFFFAOYSA-N
MW749.88 g/mol
LogP15.10
Rot. Bonds7

About N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline

N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline (PubChem CID 170254540) has the molecular formula C52H38F3NO and a molecular weight of 749.88 g/mol. Its IUPAC name is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline.

Molecular Properties

Compound NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
PubChem CID170254540
Molecular FormulaC52H38F3NO
Molecular Weight749.88 g/mol
Exact Mass749.29
IUPAC NameN-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline
SMILESFC1CC(F)C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)C(F)C1
InChIInChI=1S/C52H38F3NO/c53-38-31-46(54)48(47(55)32-38)35-22-27-41(28-23-35)56(39-16-8-3-9-17-39)40-25-20-33(21-26-40)37-24-29-43-42-18-10-11-19-44(42)50-49(34-12-4-1-5-13-34)51(36-14-6-2-7-15-36)57-52(50)45(43)30-37/h1-30,38,46-48H,31-32H2
InChIKeyINZWNLTWEODNRE-UHFFFAOYSA-N
XLogP15.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.88
LogP ≤ 515.10
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-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline 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

4-phenyl-N-(4-phenylphenyl)-N-[4-(2,3,5-triphenylphenanthro[10,9-b]furan-10-yl)phenyl]aniline
CID 155105429
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491
4-(2,3-diphenylphenanthro[9,10-b]furan-6-yl)-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 155105536
N,3,5-triphenyl-N-[4-(2-phenylphenanthro[9,10-b]furan-3-yl)phenyl]aniline
CID 155105445
4-(2,3-diphenylphenanthro[10,9-b]furan-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 155105896
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-phenoxyphenyl)-4-pyridin-4-ylaniline
CID 155105615
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[10,9-b]furan-9-amine
CID 155105546
N,N-bis(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]furan-6-amine
CID 155105509
N,2,4-triphenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]aniline
CID 155105489
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 155105614
3-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 155105684
2,3,4,5,6-pentadeuterio-N-[4-(2,3-diphenylphenanthro[9,10-b]furan-5-yl)phenyl]-N-[4-(2,4,6-trifluorophenyl)phenyl]aniline
CID 155609727

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline?
The IUPAC name of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline (CID 170254540) is N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline.
What is the SMILES notation for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline?
The canonical SMILES for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline is FC1CC(F)C(c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)oc6c5c4)cc3)cc2)C(F)C1.
What is the InChIKey of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline?
The InChIKey is INZWNLTWEODNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38F3NO/c53-38-31-46(54)48(47(55)32-38)35-22-27-41(28-23-35)56(39-16-8-3-9-17-39)40-25-20-33(21-26-40)37-24-29-43-42-18-10-11-19-44(42)50-49(34-12-4-1-5-13-34)51(36-14-6-2-7-15-36)57-52(50)45(43)30-37/h1-30,38,46-48H,31-32H2.
What are the key properties of N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline?
N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline has a molecular weight of 749.88 g/mol, XLogP of 15.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-diphenylphenanthro[10,9-b]furan-10-yl)phenyl]-N-phenyl-4-(2,4,6-trifluorocyclohexyl)aniline is sourced from PubChem (CID 170254540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).