spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

C31H18N2O — CID 132584562

IUPACspiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESc1cnc2c(c1)C1(c3cccnc3-2)c2ccc3ccccc3c2Oc2c1ccc1ccccc21
InChIInChI=1S/C31H18N2O/c1-3-9-21-19(7-1)13-15-25-29(21)34-30-22-10-4-2-8-20(22)14-16-26(30)31(25)23-11-5-17-32-27(23)28-24(31)12-6-18-33-28/h1-18H
InChIKeyQXWUFZIXPXUEDX-UHFFFAOYSA-N
MW434.50 g/mol
LogP7.25
Rot. Bonds

About spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]

spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (PubChem CID 132584562) has the molecular formula C31H18N2O and a molecular weight of 434.50 g/mol. Its IUPAC name is spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].

Molecular Properties

Compound Namespiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
PubChem CID132584562
Molecular FormulaC31H18N2O
Molecular Weight434.50 g/mol
Exact Mass434.14
IUPAC Namespiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]
SMILESc1cnc2c(c1)C1(c3cccnc3-2)c2ccc3ccccc3c2Oc2c1ccc1ccccc21
InChIInChI=1S/C31H18N2O/c1-3-9-21-19(7-1)13-15-25-29(21)34-30-22-10-4-2-8-20(22)14-16-26(30)31(25)23-11-5-17-32-27(23)28-24(31)12-6-18-33-28/h1-18H
InChIKeyQXWUFZIXPXUEDX-UHFFFAOYSA-N
XLogP7.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] 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

4-phenyl-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377304
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
2',7'-Dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 134956564
2'-Bromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 134956565
3',6'-Dibromospiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-xanthene]
CID 134956566
2-[[9-(Pyridin-2-ylmethyl)xanthen-9-yl]methyl]pyridine
CID 15678630
2-[2,7-Ditert-butyl-9-[3-(2,4-difluoro-5-pyridin-2-ylphenoxy)phenyl]fluoren-9-yl]pyridine
CID 132520058
2-[9-[3-(2,4-Difluoro-5-pyridin-2-ylphenoxy)phenyl]xanthen-9-yl]pyridine
CID 157180921
2-[2,4-Difluoro-5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158995913
6-Fluoro-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]quinoline
CID 158995914
2-[3-[3-(2,7-Ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-6-fluoroquinoline
CID 160089082

Frequently Asked Questions

What is the IUPAC name of spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The IUPAC name of spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] (CID 132584562) is spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene].
What is the SMILES notation for spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The canonical SMILES for spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is c1cnc2c(c1)C1(c3cccnc3-2)c2ccc3ccccc3c2Oc2c1ccc1ccccc21.
What is the InChIKey of spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
The InChIKey is QXWUFZIXPXUEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N2O/c1-3-9-21-19(7-1)13-15-25-29(21)34-30-22-10-4-2-8-20(22)14-16-26(30)31(25)23-11-5-17-32-27(23)28-24(31)12-6-18-33-28/h1-18H.
What are the key properties of spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]?
spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] has a molecular weight of 434.50 g/mol, XLogP of 7.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,8'-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene] is sourced from PubChem (CID 132584562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).