8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine

C54H44N2 — CID 70885876

IUPAC8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
SMILESCC1(C)C2=C(CCC=C2)N2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3C(C)(C)c3cc(-c4cccc5ccccc45)cc1c32
InChIInChI=1S/C54H44N2/c1-53(2)46-22-11-12-23-50(46)56-51-29-28-43(55(41-26-24-35-14-5-7-17-38(35)30-41)42-27-25-36-15-6-8-18-39(36)31-42)34-47(51)54(3,4)49-33-40(32-48(53)52(49)56)45-21-13-19-37-16-9-10-20-44(37)45/h5-11,13-22,24-34H,12,23H2,1-4H3
InChIKeyCNKAPPAPBRMSDC-UHFFFAOYSA-N
MW720.96 g/mol
LogP14.96
Rot. Bonds4

About 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine

8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine (PubChem CID 70885876) has the molecular formula C54H44N2 and a molecular weight of 720.96 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
PubChem CID70885876
Molecular FormulaC54H44N2
Molecular Weight720.96 g/mol
Exact Mass720.35
IUPAC Name8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
SMILESCC1(C)C2=C(CCC=C2)N2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3C(C)(C)c3cc(-c4cccc5ccccc45)cc1c32
InChIInChI=1S/C54H44N2/c1-53(2)46-22-11-12-23-50(46)56-51-29-28-43(55(41-26-24-35-14-5-7-17-38(35)30-41)42-27-25-36-15-6-8-18-39(36)31-42)34-47(51)54(3,4)49-33-40(32-48(53)52(49)56)45-21-13-19-37-16-9-10-20-44(37)45/h5-11,13-22,24-34H,12,23H2,1-4H3
InChIKeyCNKAPPAPBRMSDC-UHFFFAOYSA-N
XLogP14.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.96
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine with MolForge

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Related Compounds

5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-5-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)naphthalen-1-amine
CID 90201402
5-N,11-N-bis(4-tert-butylphenyl)-11-N-(5,6-dihydronaphthalen-2-yl)-8,8,14,14-tetramethyl-5-N-naphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70886148
N-naphthalen-2-yl-N-phenyl-5-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)naphthalen-1-amine
CID 70893250
13,13-dimethyl-N-(3-naphthalen-2-ylphenyl)-N,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-amine
CID 70886014
7-dibenzofuran-2-yl-9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121327924
8,8,14,14-tetramethyl-N,N-dinaphthalen-1-yl-11-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70893017
8,8,14,14-tetramethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892813
5-[4-[(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)amino]phenyl]-8,8,14,14-tetramethyl-N,N-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 90779509
9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine;9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 162172541
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159070020
9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050496

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine?
The IUPAC name of 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine (CID 70885876) is 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine.
What is the SMILES notation for 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine?
The canonical SMILES for 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine is CC1(C)C2=C(CCC=C2)N2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3C(C)(C)c3cc(-c4cccc5ccccc45)cc1c32.
What is the InChIKey of 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine?
The InChIKey is CNKAPPAPBRMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H44N2/c1-53(2)46-22-11-12-23-50(46)56-51-29-28-43(55(41-26-24-35-14-5-7-17-38(35)30-41)42-27-25-36-15-6-8-18-39(36)31-42)34-47(51)54(3,4)49-33-40(32-48(53)52(49)56)45-21-13-19-37-16-9-10-20-44(37)45/h5-11,13-22,24-34H,12,23H2,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine?
8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine has a molecular weight of 720.96 g/mol, XLogP of 14.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine is sourced from PubChem (CID 70885876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).