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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]

C45H32N2Si — CID 140943903

IUPAC10-(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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)c2ccccc21
InChIInChI=1S/C45H32N2Si/c1-48(2)42-25-13-7-19-36(42)45(37-20-8-14-26-43(37)48)34-17-5-11-23-40(34)46(41-24-12-6-18-35(41)45)29-27-32-30-15-3-9-21-38(30)47-39-22-10-4-16-31(39)33(28-29)44(32)47/h3-28H,1-2H3
InChIKeySPQPRKGOIRZSCQ-UHFFFAOYSA-N
MW628.85 g/mol
LogP10.14
Rot. Bonds1

About 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]

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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] (PubChem CID 140943903) has the molecular formula C45H32N2Si and a molecular weight of 628.85 g/mol. Its IUPAC name is 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline].

Molecular Properties

Compound Name10-(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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
PubChem CID140943903
Molecular FormulaC45H32N2Si
Molecular Weight628.85 g/mol
Exact Mass628.23
IUPAC Name10-(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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
SMILESC[Si]1(C)c2ccccc2C2(c3ccccc3N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)c2ccccc21
InChIInChI=1S/C45H32N2Si/c1-48(2)42-25-13-7-19-36(42)45(37-20-8-14-26-43(37)48)34-17-5-11-23-40(34)46(41-24-12-6-18-35(41)45)29-27-32-30-15-3-9-21-38(30)47-39-22-10-4-16-31(39)33(28-29)44(32)47/h3-28H,1-2H3
InChIKeySPQPRKGOIRZSCQ-UHFFFAOYSA-N
XLogP10.14
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.85
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] with MolForge

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Related Compounds

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
CID 137451115
CID 137451115
5',5'-dimethyl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878577
21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 140853279
2'-(4-fluorophenyl)-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878624
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
5',5'-dimethyl-2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878560
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
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'-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5',5'-dimethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,10'-benzo[b][1]benzosiline]
CID 140878528
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
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318

Frequently Asked Questions

What is the IUPAC name of 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]?
The IUPAC name of 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] (CID 140943903) is 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline].
What is the SMILES notation for 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]?
The canonical SMILES for 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] is C[Si]1(C)c2ccccc2C2(c3ccccc3N(c3cc4c5ccccc5n5c6ccccc6c(c3)c45)c3ccccc32)c2ccccc21.
What is the InChIKey of 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]?
The InChIKey is SPQPRKGOIRZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2Si/c1-48(2)42-25-13-7-19-36(42)45(37-20-8-14-26-43(37)48)34-17-5-11-23-40(34)46(41-24-12-6-18-35(41)45)29-27-32-30-15-3-9-21-38(30)47-39-22-10-4-16-31(39)33(28-29)44(32)47/h3-28H,1-2H3.
What are the key properties of 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]?
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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] has a molecular weight of 628.85 g/mol, XLogP of 10.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline] is sourced from PubChem (CID 140943903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).