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

C47H39N3 — CID 70886024

IUPAC10-(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
SMILESCC1(C)C2=C(C=CCC2)n2c3ccc(N4C5=C(CCC=C5)Cc5ccccc54)cc3c3cc(N4c5ccccc5Cc5ccccc54)cc1c32
InChIInChI=1S/C47H39N3/c1-47(2)38-17-7-12-22-45(38)50-44-24-23-34(48-40-18-8-3-13-30(40)25-31-14-4-9-19-41(31)48)27-36(44)37-28-35(29-39(47)46(37)50)49-42-20-10-5-15-32(42)26-33-16-6-11-21-43(33)49/h3,5-6,8-13,15-16,18-24,27-29H,4,7,14,17,25-26H2,1-2H3
InChIKeyACMSLVQDZUEAEV-UHFFFAOYSA-N
MW645.85 g/mol
LogP12.32
Rot. Bonds2

About 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

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 (PubChem CID 70886024) has the molecular formula C47H39N3 and a molecular weight of 645.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10-(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
PubChem CID70886024
Molecular FormulaC47H39N3
Molecular Weight645.85 g/mol
Exact Mass645.31
IUPAC Name10-(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
SMILESCC1(C)C2=C(C=CCC2)n2c3ccc(N4C5=C(CCC=C5)Cc5ccccc54)cc3c3cc(N4c5ccccc5Cc5ccccc54)cc1c32
InChIInChI=1S/C47H39N3/c1-47(2)38-17-7-12-22-45(38)50-44-24-23-34(48-40-18-8-3-13-30(40)25-31-14-4-9-19-41(31)48)27-36(44)37-28-35(29-39(47)46(37)50)49-42-20-10-5-15-32(42)26-33-16-6-11-21-43(33)49/h3,5-6,8-13,15-16,18-24,27-29H,4,7,14,17,25-26H2,1-2H3
InChIKeyACMSLVQDZUEAEV-UHFFFAOYSA-N
XLogP12.32
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
13,13-dimethyl-5,10-bis(4-methylphenyl)-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 70886316
10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine
CID 89111010
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
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-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
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
11-[10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89110850
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-(9,9-dimethylacridin-10-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,12(20),14,16,18-octaene
CID 143983593
11-[9-(4-naphthalen-2-ylphenyl)-10-phenyl-6-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89111113
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)C2=C(C=CCC2)n2c3ccc(N4C5=C(CCC=C5)Cc5ccccc54)cc3c3cc(N4c5ccccc5Cc5ccccc54)cc1c32.
What is the InChIKey of 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?
The InChIKey is ACMSLVQDZUEAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3/c1-47(2)38-17-7-12-22-45(38)50-44-24-23-34(48-40-18-8-3-13-30(40)25-31-14-4-9-19-41(31)48)27-36(44)37-28-35(29-39(47)46(37)50)49-42-20-10-5-15-32(42)26-33-16-6-11-21-43(33)49/h3,5-6,8-13,15-16,18-24,27-29H,4,7,14,17,25-26H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 645.85 g/mol, XLogP of 12.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 70886024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).