5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine

C67H54N4O2 — CID 153283650

IUPAC5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
SMILESCC(C)(C)c1nc2c(N(c3ccccc3)c3cccc4ccccc34)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2cccc4ccccc24)c2nc(C(C)(C)C)oc12)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C67H54N4O2/c1-65(2,3)63-68-59-55(70(47-33-15-9-16-34-47)53-39-23-27-43-25-19-21-37-49(43)53)41-51-57(61(59)72-63)58-52(67(51,45-29-11-7-12-30-45)46-31-13-8-14-32-46)42-56(60-62(58)73-64(69-60)66(4,5)6)71(48-35-17-10-18-36-48)54-40-24-28-44-26-20-22-38-50(44)54/h7-42H,1-6H3
InChIKeyPJYGFKOQGQSJSU-UHFFFAOYSA-N
MW947.20 g/mol
LogP18.17
Rot. Bonds8

About 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine

5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine (PubChem CID 153283650) has the molecular formula C67H54N4O2 and a molecular weight of 947.20 g/mol. Its IUPAC name is 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine.

Molecular Properties

Compound Name5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
PubChem CID153283650
Molecular FormulaC67H54N4O2
Molecular Weight947.20 g/mol
Exact Mass946.42
IUPAC Name5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
SMILESCC(C)(C)c1nc2c(N(c3ccccc3)c3cccc4ccccc34)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2cccc4ccccc24)c2nc(C(C)(C)C)oc12)C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C67H54N4O2/c1-65(2,3)63-68-59-55(70(47-33-15-9-16-34-47)53-39-23-27-43-25-19-21-37-49(43)53)41-51-57(61(59)72-63)58-52(67(51,45-29-11-7-12-30-45)46-31-13-8-14-32-46)42-56(60-62(58)73-64(69-60)66(4,5)6)71(48-35-17-10-18-36-48)54-40-24-28-44-26-20-22-38-50(44)54/h7-42H,1-6H3
InChIKeyPJYGFKOQGQSJSU-UHFFFAOYSA-N
XLogP18.17
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.20
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine with MolForge

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Related Compounds

5,17-ditert-butyl-8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-11,11-diphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;5,17-ditert-butyl-8-N,8-N,14-N,14-N-tetraphenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 159057181
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-1-yl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163462608
5,17-bis(2,6-dimethylphenyl)-8-N,14-N,11,11-tetraphenyl-8-N,14-N-bis(4-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine
CID 153283719
15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-1-yl-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-dinaphthalen-2-yl-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,12-N,18-N,18-N,15-pentakis(4-tert-butylphenyl)-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine;15-[4-(4-tert-butylphenoxy)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163605294
N-[3-(14,14-dimethyl-6-phenyl-6-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 129230818
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-12-N,18-N,15-tris(4-tert-butylphenyl)-26,26-dimethyl-12-N,18-N-dinaphthalen-1-yl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163596922
N-naphthalen-1-yl-N,9,9-triphenylxanthen-4-amine
CID 118134128
12-N,12-N,18-N-tris(4-tert-butylphenyl)-18-N-naphthalen-2-yl-15,15-diphenyl-10,20-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(27),2,4,6,8,11,13,16,18,21,23,25-dodecaene-12,18-diamine
CID 162712140
15-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-15-(4-tert-butylphenyl)-12-N,18-N-di(dibenzofuran-4-yl)-12-N,18-N-diphenyl-10,26-dioxaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 163583264
9-N,15-N-di(dibenzofuran-1-yl)-9-N,15-N,12,12-tetraphenylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90140171
8-N,14-N-bis(2,6-dimethylphenyl)-8-N,14-N-bis(4-methylphenyl)-5,11,11,17-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N-bis(4-methylphenyl)-8-N,14-N,5,11,11,17-hexakis-phenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,14-N,5,11,11,17-hexakis-phenyl-8-N,14-N-bis(2-phenylphenyl)-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine;8-N,8-N,14-N,14-N,5,17-hexakis-phenylspiro[4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-11,9'-fluorene]-8,14-diamine
CID 159807701
12-N,18-N-bis(2,5-dimethylphenyl)-12-N,18-N,15,15-tetraphenyl-4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 146526608

Frequently Asked Questions

What is the IUPAC name of 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?
The IUPAC name of 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine (CID 153283650) is 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine.
What is the SMILES notation for 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?
The canonical SMILES for 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine is CC(C)(C)c1nc2c(N(c3ccccc3)c3cccc4ccccc34)cc3c(c2o1)-c1c(cc(N(c2ccccc2)c2cccc4ccccc24)c2nc(C(C)(C)C)oc12)C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?
The InChIKey is PJYGFKOQGQSJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H54N4O2/c1-65(2,3)63-68-59-55(70(47-33-15-9-16-34-47)53-39-23-27-43-25-19-21-37-49(43)53)41-51-57(61(59)72-63)58-52(67(51,45-29-11-7-12-30-45)46-31-13-8-14-32-46)42-56(60-62(58)73-64(69-60)66(4,5)6)71(48-35-17-10-18-36-48)54-40-24-28-44-26-20-22-38-50(44)54/h7-42H,1-6H3.
What are the key properties of 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine?
5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine has a molecular weight of 947.20 g/mol, XLogP of 18.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,17-ditert-butyl-8-N,14-N-dinaphthalen-1-yl-8-N,14-N,11,11-tetraphenyl-4,18-dioxa-6,16-diazapentacyclo[10.7.0.02,10.03,7.015,19]nonadeca-1(19),2,5,7,9,12,14,16-octaene-8,14-diamine is sourced from PubChem (CID 153283650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).