5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]

C43H35N3 — CID 129311397

IUPAC5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]
SMILESCC1(C)c2cc(C3=CC4=C(NC3)C3=C(C=CCN3)C43c4ccccc4-c4ccccc43)ccc2-c2ccc(C3C=CC=CN3)cc21
InChIInChI=1S/C43H35N3/c1-42(2)36-22-26(16-18-31(36)32-19-17-27(23-37(32)42)39-15-7-8-20-44-39)28-24-38-41(46-25-28)40-35(14-9-21-45-40)43(38)33-12-5-3-10-29(33)30-11-4-6-13-34(30)43/h3-20,22-24,39,44-46H,21,25H2,1-2H3
InChIKeyWMSXDKZRARJBDL-UHFFFAOYSA-N
MW593.77 g/mol
LogP8.34
Rot. Bonds2

About 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]

5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] (PubChem CID 129311397) has the molecular formula C43H35N3 and a molecular weight of 593.77 g/mol. Its IUPAC name is 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene].

Molecular Properties

Compound Name5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]
PubChem CID129311397
Molecular FormulaC43H35N3
Molecular Weight593.77 g/mol
Exact Mass593.28
IUPAC Name5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]
SMILESCC1(C)c2cc(C3=CC4=C(NC3)C3=C(C=CCN3)C43c4ccccc4-c4ccccc43)ccc2-c2ccc(C3C=CC=CN3)cc21
InChIInChI=1S/C43H35N3/c1-42(2)36-22-26(16-18-31(36)32-19-17-27(23-37(32)42)39-15-7-8-20-44-39)28-24-38-41(46-25-28)40-35(14-9-21-45-40)43(38)33-12-5-3-10-29(33)30-11-4-6-13-34(30)43/h3-20,22-24,39,44-46H,21,25H2,1-2H3
InChIKeyWMSXDKZRARJBDL-UHFFFAOYSA-N
XLogP8.34
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.77
LogP ≤ 58.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]?
The IUPAC name of 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] (CID 129311397) is 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene].
What is the SMILES notation for 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]?
The canonical SMILES for 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] is CC1(C)c2cc(C3=CC4=C(NC3)C3=C(C=CCN3)C43c4ccccc4-c4ccccc43)ccc2-c2ccc(C3C=CC=CN3)cc21.
What is the InChIKey of 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]?
The InChIKey is WMSXDKZRARJBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N3/c1-42(2)36-22-26(16-18-31(36)32-19-17-27(23-37(32)42)39-15-7-8-20-44-39)28-24-38-41(46-25-28)40-35(14-9-21-45-40)43(38)33-12-5-3-10-29(33)30-11-4-6-13-34(30)43/h3-20,22-24,39,44-46H,21,25H2,1-2H3.
What are the key properties of 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene]?
5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] has a molecular weight of 593.77 g/mol, XLogP of 8.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1,2-dihydropyridin-2-yl)-9,9-dimethylfluoren-2-yl]spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10-tetraene-8,9'-fluorene] is sourced from PubChem (CID 129311397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).