15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

C48H36N4O — CID 121248142

IUPAC15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)n4c5ccccc5nc4c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)c2c34)c2ccccc21
InChIInChI=1S/C48H36N4O/c1-47(2)31-15-5-10-20-36(31)50(37-21-11-6-16-32(37)47)41-27-25-29-43-30(46(53)52-40-24-14-9-19-35(40)49-45(29)52)26-28-42(44(41)43)51-38-22-12-7-17-33(38)48(3,4)34-18-8-13-23-39(34)51/h5-28H,1-4H3
InChIKeyHAIDEQHZXCYORL-UHFFFAOYSA-N
MW684.84 g/mol
LogP11.81
Rot. Bonds2

About 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (PubChem CID 121248142) has the molecular formula C48H36N4O and a molecular weight of 684.84 g/mol. Its IUPAC name is 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.

Molecular Properties

Compound Name15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
PubChem CID121248142
Molecular FormulaC48H36N4O
Molecular Weight684.84 g/mol
Exact Mass684.29
IUPAC Name15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)n4c5ccccc5nc4c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)c2c34)c2ccccc21
InChIInChI=1S/C48H36N4O/c1-47(2)31-15-5-10-20-36(31)50(37-21-11-6-16-32(37)47)41-27-25-29-43-30(46(53)52-40-24-14-9-19-35(40)49-45(29)52)26-28-42(44(41)43)51-38-22-12-7-17-33(38)48(3,4)34-18-8-13-23-39(34)51/h5-28H,1-4H3
InChIKeyHAIDEQHZXCYORL-UHFFFAOYSA-N
XLogP11.81
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The IUPAC name of 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one (CID 121248142) is 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one.
What is the SMILES notation for 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The canonical SMILES for 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is CC1(C)c2ccccc2N(c2ccc3c(=O)n4c5ccccc5nc4c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)c2c34)c2ccccc21.
What is the InChIKey of 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
The InChIKey is HAIDEQHZXCYORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N4O/c1-47(2)31-15-5-10-20-36(31)50(37-21-11-6-16-32(37)47)41-27-25-29-43-30(46(53)52-40-24-14-9-19-35(40)49-45(29)52)26-28-42(44(41)43)51-38-22-12-7-17-33(38)48(3,4)34-18-8-13-23-39(34)51/h5-28H,1-4H3.
What are the key properties of 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one?
15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one has a molecular weight of 684.84 g/mol, XLogP of 11.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,17-bis(9,9-dimethylacridin-10-yl)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one is sourced from PubChem (CID 121248142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).