N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine

C53H34N2O2 — CID 165023710

IUPACN,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Cc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38)40-27-29-50-46(32-40)45-31-35(26-28-49(45)56-50)44-33-48-53-51-42(23-13-24-43(44)51)41-22-11-10-14-34(41)30-36-15-12-25-47(52(36)57-53)55(48)39-20-8-3-9-21-39/h1-29,31-33H,30H2
InChIKeyGWALTIWBXFEIDP-UHFFFAOYSA-N
MW730.87 g/mol
LogP15.02
Rot. Bonds5

About N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine

N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine (PubChem CID 165023710) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
PubChem CID165023710
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC NameN,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Cc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C53H34N2O2/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38)40-27-29-50-46(32-40)45-31-35(26-28-49(45)56-50)44-33-48-53-51-42(23-13-24-43(44)51)41-22-11-10-14-34(41)30-36-15-12-25-47(52(36)57-53)55(48)39-20-8-3-9-21-39/h1-29,31-33H,30H2
InChIKeyGWALTIWBXFEIDP-UHFFFAOYSA-N
XLogP15.02
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)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,N-diphenyl-8-(25-phenyl-15-oxa-8,25-diazahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine
CID 167004439
N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 129092412
N-dibenzofuran-2-yl-N,10-diphenyl-9H-acridin-3-amine
CID 163843663
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
N-[4-[5-(9H-fluoren-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]phenyl]-N,4-diphenylaniline
CID 167403227
N-dibenzofuran-2-yl-N,8,14-triphenyl-8,14-diaza-1-borahexacyclo[11.7.1.13,5.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-17-amine
CID 164944549
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-diphenyl-4-[10-(4-phenylphenyl)-9H-acridin-2-yl]aniline;4-(7-naphthalen-1-yl-10-phenyl-9H-acridin-2-yl)-N,N-diphenylaniline;4-(7-naphthalen-2-yl-10-phenyl-9H-acridin-2-yl)-N,N-diphenylaniline
CID 158959762
N-[4-[7-naphthalen-1-yl-10-(4-phenylphenyl)-9H-acridin-2-yl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[10-(4-phenylphenyl)-9H-acridin-2-yl]phenyl]naphthalen-2-amine;N-phenyl-N-[4-[7-phenyl-10-(4-phenylphenyl)-9H-acridin-2-yl]phenyl]naphthalen-2-amine
CID 158909774
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine?
The IUPAC name of N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine (CID 165023710) is N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine.
What is the SMILES notation for N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine?
The canonical SMILES for N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Cc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine?
The InChIKey is GWALTIWBXFEIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-4-16-37(17-5-1)54(38-18-6-2-7-19-38)40-27-29-50-46(32-40)45-31-35(26-28-49(45)56-50)44-33-48-53-51-42(23-13-24-43(44)51)41-22-11-10-14-34(41)30-36-15-12-25-47(52(36)57-53)55(48)39-20-8-3-9-21-39/h1-29,31-33H,30H2.
What are the key properties of N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine?
N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine has a molecular weight of 730.87 g/mol, XLogP of 15.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-8-(25-phenyl-15-oxa-25-azahexacyclo[14.7.1.113,17.02,7.09,14.020,24]pentacosa-1(23),2,4,6,9(14),10,12,16,18,20(24),21-undecaen-19-yl)dibenzofuran-2-amine is sourced from PubChem (CID 165023710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).