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

C45H32N2 — CID 140943868

IUPAC5-(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
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31
InChIInChI=1S/C45H32N2/c1-29-20-23-42-38(26-29)45(31-12-5-3-6-13-31,32-14-7-4-8-15-32)39-27-30(2)21-24-43(39)46(42)33-22-25-41-37(28-33)36-18-11-17-35-34-16-9-10-19-40(34)47(41)44(35)36/h3-28H,1-2H3
InChIKeyXAXILNOZHUWQLR-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.62
Rot. Bonds3

About 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

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 (PubChem CID 140943868) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID140943868
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC Name5-(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
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31
InChIInChI=1S/C45H32N2/c1-29-20-23-42-38(26-29)45(31-12-5-3-6-13-31,32-14-7-4-8-15-32)39-27-30(2)21-24-43(39)46(42)33-22-25-41-37(28-33)36-18-11-17-35-34-16-9-10-19-40(34)47(41)44(35)36/h3-28H,1-2H3
InChIKeyXAXILNOZHUWQLR-UHFFFAOYSA-N
XLogP11.62
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137451115
CID 137451115
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
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
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
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
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
[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
CID 59470047
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
10-(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)spiro[acridine-9,9'-fluorene];10-(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)spiro[acridine-9,9'-xanthene];10-(9,9-dimethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 162145849
8,16,16,24-tetramethyl-5,5,12,20,27,27-hexakis-phenyl-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene
CID 71004390

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc2c(c1)c1cccc3c4ccccc4n2c31.
What is the InChIKey of 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?
The InChIKey is XAXILNOZHUWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-29-20-23-42-38(26-29)45(31-12-5-3-6-13-31,32-14-7-4-8-15-32)39-27-30(2)21-24-43(39)46(42)33-22-25-41-37(28-33)36-18-11-17-35-34-16-9-10-19-40(34)47(41)44(35)36/h3-28H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 600.77 g/mol, XLogP of 11.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 140943868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).