5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one

C31H21NO — CID 148956625

IUPAC5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one
SMILESO=c1c2c(c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)ccc5n1c34)C=CCC2
InChIInChI=1S/C31H21NO/c33-31-25-14-8-7-13-24(25)27-18-23(21-11-5-2-6-12-21)19-28-26-17-22(20-9-3-1-4-10-20)15-16-29(26)32(31)30(27)28/h1-7,9-13,15-19H,8,14H2
InChIKeyPQZJXMSADJOQGA-UHFFFAOYSA-N
MW423.52 g/mol
LogP7.34
Rot. Bonds2

About 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one

5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one (PubChem CID 148956625) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one.

Molecular Properties

Compound Name5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one
PubChem CID148956625
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one
SMILESO=c1c2c(c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)ccc5n1c34)C=CCC2
InChIInChI=1S/C31H21NO/c33-31-25-14-8-7-13-24(25)27-18-23(21-11-5-2-6-12-21)19-28-26-17-22(20-9-3-1-4-10-20)15-16-29(26)32(31)30(27)28/h1-7,9-13,15-19H,8,14H2
InChIKeyPQZJXMSADJOQGA-UHFFFAOYSA-N
XLogP7.34
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one 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

10-(2,18-dioxo-4,16-dithia-1-azapentacyclo[10.6.1.03,7.08,19.013,17]nonadeca-3(7),5,8,10,12(19),13(17),14-heptaen-10-yl)-4-thia-1-azapentacyclo[10.7.1.03,7.08,20.013,18]icosa-3(7),5,8(20),9,11,13(18),14-heptaene-2,19-dione
CID 144602943
5,10-diphenyl-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 162740169
10,15-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13(18),14,16-nonaen-19-one
CID 146620445
5,15-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 168720024
5-(3,5-diphenylphenyl)-10-(2,6-diphenyl-4-pyridinyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 139524665
5-[3-(3-phenylphenyl)phenyl]-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-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-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-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-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-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-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 158643632
10-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one
CID 118376481
26-(1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3(8),4,9,11,13,16,18,20,22,24(29),25,27-tridecaen-26-yl)-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaene
CID 89063886
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
11-[4-(3-phenylcarbazol-9-yl)phenyl]-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 118390314
5,10-bis(3-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13,15,17-nonaen-19-one;8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(26),2,4,6,9,11,13,17,19,21,23(27),24-dodecaen-15-one;24,25-diphenyl-8,16-diazaheptacyclo[14.9.2.02,7.08,26.09,14.017,22.023,27]heptacosa-1(25),2,4,6,9,11,13,17,19,21,23,26-dodecaen-15-one;5,10,15-triphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8,10,12(20),13(18),14,16-nonaen-19-one
CID 157298032

Frequently Asked Questions

What is the IUPAC name of 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one?
The IUPAC name of 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one (CID 148956625) is 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one.
What is the SMILES notation for 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one?
The canonical SMILES for 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one is O=c1c2c(c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)ccc5n1c34)C=CCC2.
What is the InChIKey of 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one?
The InChIKey is PQZJXMSADJOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO/c33-31-25-14-8-7-13-24(25)27-18-23(21-11-5-2-6-12-21)19-28-26-17-22(20-9-3-1-4-10-20)15-16-29(26)32(31)30(27)28/h1-7,9-13,15-19H,8,14H2.
What are the key properties of 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one?
5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one has a molecular weight of 423.52 g/mol, XLogP of 7.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14-octaen-19-one is sourced from PubChem (CID 148956625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).