2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

C27H22N2 — CID 20811006

IUPAC2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)cnc2-c2ncc(C)cc21
InChIInChI=1S/C27H22N2/c1-15-5-7-19-20-8-6-16(2)10-22(20)27(21(19)9-15)23-11-17(3)13-28-25(23)26-24(27)12-18(4)14-29-26/h5-14H,1-4H3
InChIKeyJVFXYSJVDBRUAJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP6.05
Rot. Bonds

About 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]

2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (PubChem CID 20811006) has the molecular formula C27H22N2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene].

Molecular Properties

Compound Name2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
PubChem CID20811006
Molecular FormulaC27H22N2
Molecular Weight374.49 g/mol
Exact Mass374.18
IUPAC Name2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)cnc2-c2ncc(C)cc21
InChIInChI=1S/C27H22N2/c1-15-5-7-19-20-8-6-16(2)10-22(20)27(21(19)9-15)23-11-17(3)13-28-25(23)26-24(27)12-18(4)14-29-26/h5-14H,1-4H3
InChIKeyJVFXYSJVDBRUAJ-UHFFFAOYSA-N
XLogP6.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The IUPAC name of 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] (CID 20811006) is 2',5,7',11-tetramethylspiro[3,13-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 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The canonical SMILES for 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(C)cnc2-c2ncc(C)cc21.
What is the InChIKey of 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
The InChIKey is JVFXYSJVDBRUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2/c1-15-5-7-19-20-8-6-16(2)10-22(20)27(21(19)9-15)23-11-17(3)13-28-25(23)26-24(27)12-18(4)14-29-26/h5-14H,1-4H3.
What are the key properties of 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]?
2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] has a molecular weight of 374.49 g/mol, XLogP of 6.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',5,7',11-tetramethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene] is sourced from PubChem (CID 20811006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).