6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene

C24H22N2 — CID 1205126

IUPAC6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
SMILESc1ccc(-n2cc3c(c2)CCc2cn(-c4ccccc4)cc2CC3)cc1
InChIInChI=1S/C24H22N2/c1-3-7-23(8-4-1)25-15-19-11-13-21-17-26(24-9-5-2-6-10-24)18-22(21)14-12-20(19)16-25/h1-10,15-18H,11-14H2
InChIKeyRQXGKBNPWIIOJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.15
Rot. Bonds2

About 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene

6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene (PubChem CID 1205126) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene.

Molecular Properties

Compound Name6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
PubChem CID1205126
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene
SMILESc1ccc(-n2cc3c(c2)CCc2cn(-c4ccccc4)cc2CC3)cc1
InChIInChI=1S/C24H22N2/c1-3-7-23(8-4-1)25-15-19-11-13-21-17-26(24-9-5-2-6-10-24)18-22(21)14-12-20(19)16-25/h1-10,15-18H,11-14H2
InChIKeyRQXGKBNPWIIOJY-UHFFFAOYSA-N
XLogP5.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The IUPAC name of 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene (CID 1205126) is 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene.
What is the SMILES notation for 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The canonical SMILES for 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene is c1ccc(-n2cc3c(c2)CCc2cn(-c4ccccc4)cc2CC3)cc1.
What is the InChIKey of 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
The InChIKey is RQXGKBNPWIIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-7-23(8-4-1)25-15-19-11-13-21-17-26(24-9-5-2-6-10-24)18-22(21)14-12-20(19)16-25/h1-10,15-18H,11-14H2.
What are the key properties of 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene?
6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene has a molecular weight of 338.45 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-diphenyl-6,13-diazatricyclo[9.3.0.04,8]tetradeca-1(14),4,7,11-tetraene is sourced from PubChem (CID 1205126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).