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

C49H39NO2 — CID 176822011

IUPAC5-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
SMILESCC(C)(C)c1ccc2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C
InChIInChI=1S/C49H39NO2/c1-48(2,3)32-23-27-41-35(29-32)45-43(52-41)28-26-37-47(45)46-36(49(37,4)5)16-11-17-39(46)50(33-24-21-31(22-25-33)30-13-7-6-8-14-30)38-18-12-20-42-44(38)34-15-9-10-19-40(34)51-42/h6-29H,1-5H3
InChIKeyQVGQZLYFPMEKON-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.23
Rot. Bonds4

About 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

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 (PubChem CID 176822011) has the molecular formula C49H39NO2 and a molecular weight of 673.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID176822011
Molecular FormulaC49H39NO2
Molecular Weight673.86 g/mol
Exact Mass673.30
IUPAC Name5-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
SMILESCC(C)(C)c1ccc2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C
InChIInChI=1S/C49H39NO2/c1-48(2,3)32-23-27-41-35(29-32)45-43(52-41)28-26-37-47(45)46-36(49(37,4)5)16-11-17-39(46)50(33-24-21-31(22-25-33)30-13-7-6-8-14-30)38-18-12-20-42-44(38)34-15-9-10-19-40(34)51-42/h6-29H,1-5H3
InChIKeyQVGQZLYFPMEKON-UHFFFAOYSA-N
XLogP14.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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-19-amine
CID 176821941
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
N-(4-tert-butylphenyl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine
CID 134393185
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenylaniline
CID 170141284
N-(4-tert-butylphenyl)-N-(14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-yl)-14,14-dimethyl-9-oxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155088963
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-(2,4-ditert-butyl-12,12-dimethylfluoreno[2,1-b][1]benzothiol-8-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176821750
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
1-tert-butyl-N-dibenzofuran-3-yl-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 176821907
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
5-(4-tert-butylphenyl)-2-dibenzofuran-1-yl-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167484522

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2oc3ccc4c(c3c2c1)-c1c(N(c2ccc(-c3ccccc3)cc2)c2cccc3oc5ccccc5c23)cccc1C4(C)C.
What is the InChIKey of 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?
The InChIKey is QVGQZLYFPMEKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39NO2/c1-48(2,3)32-23-27-41-35(29-32)45-43(52-41)28-26-37-47(45)46-36(49(37,4)5)16-11-17-39(46)50(33-24-21-31(22-25-33)30-13-7-6-8-14-30)38-18-12-20-42-44(38)34-15-9-10-19-40(34)51-42/h6-29H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 673.86 g/mol, XLogP of 14.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176822011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).