5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine

C53H47NO2 — CID 176821941

IUPAC5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C
InChIInChI=1S/C53H47NO2/c1-51(2,3)34-30-37-47-45(56-50(37)40(31-34)52(4,5)6)29-28-39-49(47)48-38(53(39,7)8)19-14-20-42(48)54(35-26-24-33(25-27-35)32-16-10-9-11-17-32)41-21-15-23-44-46(41)36-18-12-13-22-43(36)55-44/h9-31H,1-8H3
InChIKeyQOZNWJAXPCMTPR-UHFFFAOYSA-N
MW729.96 g/mol
LogP15.52
Rot. Bonds4

About 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine

5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine (PubChem CID 176821941) has the molecular formula C53H47NO2 and a molecular weight of 729.96 g/mol. Its IUPAC name is 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine.

Molecular Properties

Compound Name5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
PubChem CID176821941
Molecular FormulaC53H47NO2
Molecular Weight729.96 g/mol
Exact Mass729.36
IUPAC Name5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
SMILESCC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C
InChIInChI=1S/C53H47NO2/c1-51(2,3)34-30-37-47-45(56-50(37)40(31-34)52(4,5)6)29-28-39-49(47)48-38(53(39,7)8)19-14-20-42(48)54(35-26-24-33(25-27-35)32-16-10-9-11-17-32)41-21-15-23-44-46(41)36-18-12-13-22-43(36)55-44/h9-31H,1-8H3
InChIKeyQOZNWJAXPCMTPR-UHFFFAOYSA-N
XLogP15.52
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.96
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine with MolForge

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Related Compounds

5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-17-amine
CID 176821663
5-tert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine
CID 176822011
6,8-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751144
6,8-ditert-butyl-N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-amine
CID 176751186
8,10-ditert-butyl-N-dibenzofuran-1-yl-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-3-amine
CID 176821813
1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 176821907
N-(2,4-ditert-butyl-12,12-dimethylfluoreno[2,1-b][1]benzothiol-8-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821750
5,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-18-amine
CID 176821887
2,4-ditert-butyl-N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 176821830
2,4-ditert-butyl-N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-12,12-dimethylfluoreno[2,1-b][1]benzofuran-8-amine
CID 176821684
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine
CID 176751163

Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine?
The IUPAC name of 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine (CID 176821941) is 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine.
What is the SMILES notation for 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine?
The canonical SMILES for 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine is CC(C)(C)c1cc(C(C)(C)C)c2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C.
What is the InChIKey of 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine?
The InChIKey is QOZNWJAXPCMTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47NO2/c1-51(2,3)34-30-37-47-45(56-50(37)40(31-34)52(4,5)6)29-28-39-49(47)48-38(53(39,7)8)19-14-20-42(48)54(35-26-24-33(25-27-35)32-16-10-9-11-17-32)41-21-15-23-44-46(41)36-18-12-13-22-43(36)55-44/h9-31H,1-8H3.
What are the key properties of 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine?
5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine has a molecular weight of 729.96 g/mol, XLogP of 15.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butyl-N-dibenzofuran-1-yl-14,14-dimethyl-N-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-19-amine is sourced from PubChem (CID 176821941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).