5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine

C48H32N2O2 — CID 166986890

IUPAC5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc(Nc5cccc6ccccc56)cc5cccc(c35)O4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2O2/c1-2-11-32(12-3-1)33-23-25-38(26-24-33)50(43-21-9-16-35-14-5-7-19-41(35)43)39-27-28-44-46(31-39)52-47-30-37(29-36-17-10-22-45(51-44)48(36)47)49-42-20-8-15-34-13-4-6-18-40(34)42/h1-31,49H
InChIKeyHHRCJKHLGGGMCP-UHFFFAOYSA-N
MW668.80 g/mol
LogP13.92
Rot. Bonds6

About 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine

5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine (PubChem CID 166986890) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine.

Molecular Properties

Compound Name5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine
PubChem CID166986890
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc(Nc5cccc6ccccc56)cc5cccc(c35)O4)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2O2/c1-2-11-32(12-3-1)33-23-25-38(26-24-33)50(43-21-9-16-35-14-5-7-19-41(35)43)39-27-28-44-46(31-39)52-47-30-37(29-36-17-10-22-45(51-44)48(36)47)49-42-20-8-15-34-13-4-6-18-40(34)42/h1-31,49H
InChIKeyHHRCJKHLGGGMCP-UHFFFAOYSA-N
XLogP13.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 513.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine 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

5-N,12-N-diphenyl-5-N,12-N-bis(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10(18),11,13,15-octaene-5,12-diamine
CID 166986850
N-(4-phenylnaphthalen-1-yl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986775
11-N-naphthalen-1-yl-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900455
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-amine
CID 166986527
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 122493278
2-N-[3-[5-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]phenanthren-9-yl]-7-N-phenanthren-9-yl-2-N,7-N-diphenyldibenzo-p-dioxin-2,7-diamine
CID 135270805
N-[2-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,10,12,14(18),15-octaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166986543
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138581305
N-[4-[12-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]chrysen-6-yl]phenyl]naphthalen-1-amine
CID 59987803
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine?
The IUPAC name of 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine (CID 166986890) is 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine.
What is the SMILES notation for 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine?
The canonical SMILES for 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3cc(Nc5cccc6ccccc56)cc5cccc(c35)O4)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine?
The InChIKey is HHRCJKHLGGGMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-2-11-32(12-3-1)33-23-25-38(26-24-33)50(43-21-9-16-35-14-5-7-19-41(35)43)39-27-28-44-46(31-39)52-47-30-37(29-36-17-10-22-45(51-44)48(36)47)49-42-20-8-15-34-13-4-6-18-40(34)42/h1-31,49H.
What are the key properties of 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine?
5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine has a molecular weight of 668.80 g/mol, XLogP of 13.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,16-N-dinaphthalen-1-yl-5-N-(4-phenylphenyl)-2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),3(8),4,6,10,12,14,16-octaene-5,16-diamine is sourced from PubChem (CID 166986890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).