5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C35H28N2 — CID 140943861

IUPAC5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31
InChIInChI=1S/C35H28N2/c1-21-12-15-32-28(18-21)35(3,4)29-19-22(2)13-16-33(29)36(32)23-14-17-31-27(20-23)26-10-7-9-25-24-8-5-6-11-30(24)37(31)34(25)26/h5-20H,1-4H3
InChIKeyZFMMYZCVVBKOTR-UHFFFAOYSA-N
MW476.62 g/mol
LogP9.56
Rot. Bonds1

About 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 140943861) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID140943861
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Name5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31
InChIInChI=1S/C35H28N2/c1-21-12-15-32-28(18-21)35(3,4)29-19-22(2)13-16-33(29)36(32)23-14-17-31-27(20-23)26-10-7-9-25-24-8-5-6-11-30(24)37(31)34(25)26/h5-20H,1-4H3
InChIKeyZFMMYZCVVBKOTR-UHFFFAOYSA-N
XLogP9.56
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

5-(2,7-dimethyl-9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943868
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
CID 137451115
CID 137451115
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 171599918
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
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
3,7-dimethyl-10-(9-methylcarbazol-3-yl)phenoxazine
CID 158231625
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
2,7,9,9-tetramethyl-10-(5-pyrimidin-5-ylpyrido[3,2-b]indol-8-yl)acridine
CID 138641217
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
5-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-2,8-dimethyl-10,10-diphenylbenzo[b][1,4]benzazasiline
CID 140943866

Frequently Asked Questions

What is the IUPAC name of 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 140943861) is 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31.
What is the InChIKey of 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is ZFMMYZCVVBKOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28N2/c1-21-12-15-32-28(18-21)35(3,4)29-19-22(2)13-16-33(29)36(32)23-14-17-31-27(20-23)26-10-7-9-25-24-8-5-6-11-30(24)37(31)34(25)26/h5-20H,1-4H3.
What are the key properties of 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 476.62 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 140943861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).