8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene

C38H36N2 — CID 163859803

IUPAC8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
SMILESCC1CC=CC2=C1N(c1cc3c4c(c1)c1cccc5c1n4C1=C(C=CCC1C5(C)C)C3(C)C)c1ccccc1C2
InChIInChI=1S/C38H36N2/c1-22-11-8-13-24-19-23-12-6-7-18-32(23)39(33(22)24)25-20-27-26-14-9-15-28-34(26)40-35(27)31(21-25)38(4,5)30-17-10-16-29(36(30)40)37(28,2)3/h6-10,12-15,17-18,20-22,29H,11,16,19H2,1-5H3
InChIKeyPBMIQNMXEXBTAX-UHFFFAOYSA-N
MW520.72 g/mol
LogP9.71
Rot. Bonds1

About 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene

8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene (PubChem CID 163859803) has the molecular formula C38H36N2 and a molecular weight of 520.72 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
PubChem CID163859803
Molecular FormulaC38H36N2
Molecular Weight520.72 g/mol
Exact Mass520.29
IUPAC Name8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene
SMILESCC1CC=CC2=C1N(c1cc3c4c(c1)c1cccc5c1n4C1=C(C=CCC1C5(C)C)C3(C)C)c1ccccc1C2
InChIInChI=1S/C38H36N2/c1-22-11-8-13-24-19-23-12-6-7-18-32(23)39(33(22)24)25-20-27-26-14-9-15-28-34(26)40-35(27)31(21-25)38(4,5)30-17-10-16-29(36(30)40)37(28,2)3/h6-10,12-15,17-18,20-22,29H,11,16,19H2,1-5H3
InChIKeyPBMIQNMXEXBTAX-UHFFFAOYSA-N
XLogP9.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.72
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene with MolForge

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Related Compounds

8,8,14,14-tetramethyl-5-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893333
5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70886019
8,8,14,14,22,22-hexamethyl-11-(4-phenylnaphthalen-1-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15(20),16-octaene
CID 70885309
10-(9H-acridin-10-yl)-5-(2,9-dihydro-1H-acridin-10-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),17-octaene
CID 70886024
17-N-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-5-N-(9,9-dimethylfluoren-2-yl)-8,8,14,14-tetramethyl-5-N,17-N-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene-5,17-diamine
CID 89065270
8,8,14,14-tetramethyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,11,13(21),15,17,19-octaen-5-amine
CID 70885481
5-(7,8-dihydrobenzo[b][1]benzazepin-11-yl)-17-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70886157
5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-8,8,14,14,22,22-hexamethyl-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
CID 70893345
4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
5-iodo-15,15-dimethyl-1,5-diazaheptacyclo[14.10.1.02,14.04,12.06,11.020,27.021,26]heptacosa-2(14),3,6,8,10,12,16(27),17,21,23,25-undecaene
CID 155306868

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The IUPAC name of 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene (CID 163859803) is 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene.
What is the SMILES notation for 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The canonical SMILES for 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene is CC1CC=CC2=C1N(c1cc3c4c(c1)c1cccc5c1n4C1=C(C=CCC1C5(C)C)C3(C)C)c1ccccc1C2.
What is the InChIKey of 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
The InChIKey is PBMIQNMXEXBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2/c1-22-11-8-13-24-19-23-12-6-7-18-32(23)39(33(22)24)25-20-27-26-14-9-15-28-34(26)40-35(27)31(21-25)38(4,5)30-17-10-16-29(36(30)40)37(28,2)3/h6-10,12-15,17-18,20-22,29H,11,16,19H2,1-5H3.
What are the key properties of 8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene?
8,8,14,14-tetramethyl-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene has a molecular weight of 520.72 g/mol, XLogP of 9.71, 1 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-5-(4-methyl-4,9-dihydro-3H-acridin-10-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,15,17,19-octaene is sourced from PubChem (CID 163859803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).