10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one

C52H35N3O — CID 123321276

IUPAC10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc53)c3ccccc3-n3c(=O)c5ccncc5c5cccc4c53)cc21
InChIInChI=1S/C52H35N3O/c1-51(2)40-17-7-6-15-35(40)36-25-24-34(30-44(36)51)54-46-21-10-8-18-41(46)52(45-29-33(23-26-48(45)54)32-13-4-3-5-14-32)42-19-9-11-22-47(42)55-49-37(16-12-20-43(49)52)39-31-53-28-27-38(39)50(55)56/h3-31H,1-2H3
InChIKeyMZFXWVHMLALVGH-UHFFFAOYSA-N
MW717.87 g/mol
LogP11.99
Rot. Bonds2

About 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one

10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one (PubChem CID 123321276) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one.

Molecular Properties

Compound Name10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one
PubChem CID123321276
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one
SMILESCC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc53)c3ccccc3-n3c(=O)c5ccncc5c5cccc4c53)cc21
InChIInChI=1S/C52H35N3O/c1-51(2)40-17-7-6-15-35(40)36-25-24-34(30-44(36)51)54-46-21-10-8-18-41(46)52(45-29-33(23-26-48(45)54)32-13-4-3-5-14-32)42-19-9-11-22-47(42)55-49-37(16-12-20-43(49)52)39-31-53-28-27-38(39)50(55)56/h3-31H,1-2H3
InChIKeyMZFXWVHMLALVGH-UHFFFAOYSA-N
XLogP11.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one?
The IUPAC name of 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one (CID 123321276) is 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one.
What is the SMILES notation for 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one?
The canonical SMILES for 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one is CC1(C)c2ccccc2-c2ccc(N3c4ccccc4C4(c5cc(-c6ccccc6)ccc53)c3ccccc3-n3c(=O)c5ccncc5c5cccc4c53)cc21.
What is the InChIKey of 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one?
The InChIKey is MZFXWVHMLALVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-51(2)40-17-7-6-15-35(40)36-25-24-34(30-44(36)51)54-46-21-10-8-18-41(46)52(45-29-33(23-26-48(45)54)32-13-4-3-5-14-32)42-19-9-11-22-47(42)55-49-37(16-12-20-43(49)52)39-31-53-28-27-38(39)50(55)56/h3-31H,1-2H3.
What are the key properties of 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one?
10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one has a molecular weight of 717.87 g/mol, XLogP of 11.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(9,9-dimethylfluoren-2-yl)-2'-phenylspiro[1,16-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14(19),15,17-nonaene-8,9'-acridine]-20-one is sourced from PubChem (CID 123321276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).