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

C52H33N3O2 — CID 167004439

IUPACN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Nc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C52H33N3O2/c1-4-14-34(15-5-1)54(35-16-6-2-7-17-35)37-27-29-49-43(31-37)42-30-33(26-28-48(42)56-49)41-32-47-52-50-39(21-12-22-40(41)50)38-20-10-11-23-44(38)53-45-24-13-25-46(51(45)57-52)55(47)36-18-8-3-9-19-36/h1-32,53H
InChIKeyBGTGJTVIRCZPLD-UHFFFAOYSA-N
MW731.86 g/mol
LogP15.18
Rot. Bonds5

About 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

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 (PubChem CID 167004439) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID167004439
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC NameN,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
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Nc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C52H33N3O2/c1-4-14-34(15-5-1)54(35-16-6-2-7-17-35)37-27-29-49-43(31-37)42-30-33(26-28-48(42)56-49)41-32-47-52-50-39(21-12-22-40(41)50)38-20-10-11-23-44(38)53-45-24-13-25-46(51(45)57-52)55(47)36-18-8-3-9-19-36/h1-32,53H
InChIKeyBGTGJTVIRCZPLD-UHFFFAOYSA-N
XLogP15.18
TPSA40.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 515.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
8-naphthalen-1-yl-N,N-diphenyldibenzofuran-2-amine
CID 130208127
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzofuran-4-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)phenyl]dibenzofuran-2-amine
CID 159499661
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
N-phenyl-N-[4-(1,6,13-triphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-2-amine
CID 168750812
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N,10-diphenyl-9H-acridin-3-amine
CID 163843663

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccc3oc4ccc(-c5cc6c7c8c(cccc58)-c5ccccc5Nc5cccc(c5O7)N6c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is BGTGJTVIRCZPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-4-14-34(15-5-1)54(35-16-6-2-7-17-35)37-27-29-49-43(31-37)42-30-33(26-28-48(42)56-49)41-32-47-52-50-39(21-12-22-40(41)50)38-20-10-11-23-44(38)53-45-24-13-25-46(51(45)57-52)55(47)36-18-8-3-9-19-36/h1-32,53H.
What are the key properties of 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?
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 has a molecular weight of 731.86 g/mol, XLogP of 15.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167004439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).