5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

C23H13ClN2 — CID 153406412

IUPAC5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESClc1cnc2c(c1)C1(c3ccccc3-c3ccccc31)c1ncccc1-2
InChIInChI=1S/C23H13ClN2/c24-14-12-20-21(26-13-14)17-8-5-11-25-22(17)23(20)18-9-3-1-6-15(18)16-7-2-4-10-19(16)23/h1-13H
InChIKeyBBZLFZFCRCYQHV-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.47
Rot. Bonds

About 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (PubChem CID 153406412) has the molecular formula C23H13ClN2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
PubChem CID153406412
Molecular FormulaC23H13ClN2
Molecular Weight352.82 g/mol
Exact Mass352.08
IUPAC Name5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESClc1cnc2c(c1)C1(c3ccccc3-c3ccccc31)c1ncccc1-2
InChIInChI=1S/C23H13ClN2/c24-14-12-20-21(26-13-14)17-8-5-11-25-22(17)23(20)18-9-3-1-6-15(18)16-7-2-4-10-19(16)23/h1-13H
InChIKeyBBZLFZFCRCYQHV-UHFFFAOYSA-N
XLogP5.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201
benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
CID 138579740
CID 138579740
5-chloro-5'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,8'-indeno[2,1-c]phenothiazine]
CID 165162448
spiro[8-azapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene-20,9'-fluorene]
CID 122631514
CID 102192841
CID 102192841
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]
CID 146737590
bis(7-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]);platinum(2+)
CID 59661583
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (CID 153406412) is 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].
What is the SMILES notation for 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is Clc1cnc2c(c1)C1(c3ccccc3-c3ccccc31)c1ncccc1-2.
What is the InChIKey of 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The InChIKey is BBZLFZFCRCYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClN2/c24-14-12-20-21(26-13-14)17-8-5-11-25-22(17)23(20)18-9-3-1-6-15(18)16-7-2-4-10-19(16)23/h1-13H.
What are the key properties of 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] has a molecular weight of 352.82 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorospiro[3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 153406412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).