11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine

C52H36N2O — CID 168855464

IUPAC11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5cc(N(c6ccccc6)c6ccccc6)cc(c35)O4)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-27-31-44(32-28-39)54(45-33-29-40(30-34-45)38-17-7-2-8-18-38)48-25-14-26-49-52(48)47-24-13-19-41-35-46(36-50(55-49)51(41)47)53(42-20-9-3-10-21-42)43-22-11-4-12-23-43/h1-36H
InChIKeyAJYMNRAOXKOXBD-UHFFFAOYSA-N
MW704.87 g/mol
LogP14.89
Rot. Bonds8

About 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine

11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine (PubChem CID 168855464) has the molecular formula C52H36N2O and a molecular weight of 704.87 g/mol. Its IUPAC name is 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine.

Molecular Properties

Compound Name11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
PubChem CID168855464
Molecular FormulaC52H36N2O
Molecular Weight704.87 g/mol
Exact Mass704.28
IUPAC Name11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5cc(N(c6ccccc6)c6ccccc6)cc(c35)O4)cc2)cc1
InChIInChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-27-31-44(32-28-39)54(45-33-29-40(30-34-45)38-17-7-2-8-18-38)48-25-14-26-49-52(48)47-24-13-19-41-35-46(36-50(55-49)51(41)47)53(42-20-9-3-10-21-42)43-22-11-4-12-23-43/h1-36H
InChIKeyAJYMNRAOXKOXBD-UHFFFAOYSA-N
XLogP14.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.87
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine with MolForge

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Related Compounds

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
4-N,4-N,11-N,11-N-tetrakis(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 166900445
11-N-(9,9-diphenylfluoren-4-yl)-4-N,4-N-diphenyl-11-N-(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 168855556
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-phenyl-6-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598367
3-N,10-N-diphenyl-3-N,10-N-bis(4-phenylphenyl)-19-oxapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8,10,12,14,16-nonaene-3,10-diamine
CID 118359824
12-(4,6-diphenylpyrimidin-2-yl)-N-phenyl-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-amine
CID 170183244
3-N,3-N,12-N,12-N-tetraphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
CID 168855613
10-N-naphthalen-1-yl-3-N,3-N,10-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 166900430
4-phenyl-N-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 176597557
11-N-(9,9-dimethylfluoren-2-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 166900464
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475

Frequently Asked Questions

What is the IUPAC name of 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine?
The IUPAC name of 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine (CID 168855464) is 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine.
What is the SMILES notation for 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine?
The canonical SMILES for 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cccc5cc(N(c6ccccc6)c6ccccc6)cc(c35)O4)cc2)cc1.
What is the InChIKey of 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine?
The InChIKey is AJYMNRAOXKOXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O/c1-5-15-37(16-6-1)39-27-31-44(32-28-39)54(45-33-29-40(30-34-45)38-17-7-2-8-18-38)48-25-14-26-49-52(48)47-24-13-19-41-35-46(36-50(55-49)51(41)47)53(42-20-9-3-10-21-42)43-22-11-4-12-23-43/h1-36H.
What are the key properties of 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine?
11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine has a molecular weight of 704.87 g/mol, XLogP of 14.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N,11-N-diphenyl-3-N,3-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,11-diamine is sourced from PubChem (CID 168855464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).