2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline

C52H36N2 — CID 121355979

IUPAC2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(Nc3ccccc3-c3cccc(-c4cc5cc(c4)-c4ccccc4-c4cc6ccccc6cc4Nc4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C52H36N2/c1-2-14-35(15-3-1)37-19-13-21-44(32-37)53-50-26-10-8-23-46(50)40-20-12-18-36(28-40)41-29-42-31-43(30-41)47-24-9-11-27-51(47)54-52-34-39-17-5-4-16-38(39)33-49(52)48-25-7-6-22-45(42)48/h1-34,53-54H
InChIKeyPYLYTDQPPCZJEJ-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.64
Rot. Bonds5

About 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline

2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline (PubChem CID 121355979) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline
PubChem CID121355979
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline
SMILESc1ccc(-c2cccc(Nc3ccccc3-c3cccc(-c4cc5cc(c4)-c4ccccc4-c4cc6ccccc6cc4Nc4ccccc4-5)c3)c2)cc1
InChIInChI=1S/C52H36N2/c1-2-14-35(15-3-1)37-19-13-21-44(32-37)53-50-26-10-8-23-46(50)40-20-12-18-36(28-40)41-29-42-31-43(30-41)47-24-9-11-27-51(47)54-52-34-39-17-5-4-16-38(39)33-49(52)48-25-7-6-22-45(42)48/h1-34,53-54H
InChIKeyPYLYTDQPPCZJEJ-UHFFFAOYSA-N
XLogP14.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)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

2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-phenylaniline
CID 121355978
N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 135167428
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
2-[3-[4-(4-anilinophenyl)anilino]phenyl]-N-phenylaniline
CID 118176553
N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 177069740
2-[3-[12-[(5S)-5-methylcyclohexa-1,3-dien-1-yl]-14-azapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8(13),9,11,15,17,19,21-undecaen-10-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 121355867
2-phenyl-N-[2-(3-phenylphenyl)phenyl]aniline
CID 90370372
1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 169027344
N-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylaniline
CID 89331007
N-[(3E,5E)-4-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19(24),20,22,25,27-tetradecaen-22-yl)-6-phenylhepta-3,5-dien-2-yl]-3-(4-phenylphenyl)aniline
CID 121355639
2-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 126709673
2,4-diphenyl-N-(3-phenylphenyl)aniline
CID 90153748

Frequently Asked Questions

What is the IUPAC name of 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline?
The IUPAC name of 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline (CID 121355979) is 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline?
The canonical SMILES for 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline is c1ccc(-c2cccc(Nc3ccccc3-c3cccc(-c4cc5cc(c4)-c4ccccc4-c4cc6ccccc6cc4Nc4ccccc4-5)c3)c2)cc1.
What is the InChIKey of 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline?
The InChIKey is PYLYTDQPPCZJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-2-14-35(15-3-1)37-19-13-21-44(32-37)53-50-26-10-8-23-46(50)40-20-12-18-36(28-40)41-29-42-31-43(30-41)47-24-9-11-27-51(47)54-52-34-39-17-5-4-16-38(39)33-49(52)48-25-7-6-22-45(42)48/h1-34,53-54H.
What are the key properties of 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline?
2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline has a molecular weight of 688.87 g/mol, XLogP of 14.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(18-azahexacyclo[23.3.1.02,7.08,17.010,15.019,24]nonacosa-1(29),2,4,6,8,10,12,14,16,19,21,23,25,27-tetradecaen-27-yl)phenyl]-N-(3-phenylphenyl)aniline is sourced from PubChem (CID 121355979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).