1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

C24H28N2 — CID 118232219

IUPAC1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCC(C)n1c(-c2ccccc2)nc2cc3c(cc21)C1(C)CCC3(C)CC1
InChIInChI=1S/C24H28N2/c1-16(2)26-21-15-19-18(23(3)10-12-24(19,4)13-11-23)14-20(21)25-22(26)17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyHSBVLHGANSDFBE-UHFFFAOYSA-N
MW344.50 g/mol
LogP6.39
Rot. Bonds2

About 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (PubChem CID 118232219) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.

Molecular Properties

Compound Name1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
PubChem CID118232219
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCC(C)n1c(-c2ccccc2)nc2cc3c(cc21)C1(C)CCC3(C)CC1
InChIInChI=1S/C24H28N2/c1-16(2)26-21-15-19-18(23(3)10-12-24(19,4)13-11-23)14-20(21)25-22(26)17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3
InChIKeyHSBVLHGANSDFBE-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The IUPAC name of 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (CID 118232219) is 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.
What is the SMILES notation for 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The canonical SMILES for 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is CC(C)n1c(-c2ccccc2)nc2cc3c(cc21)C1(C)CCC3(C)CC1.
What is the InChIKey of 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The InChIKey is HSBVLHGANSDFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-16(2)26-21-15-19-18(23(3)10-12-24(19,4)13-11-23)14-20(21)25-22(26)17-8-6-5-7-9-17/h5-9,14-16H,10-13H2,1-4H3.
What are the key properties of 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene has a molecular weight of 344.50 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethyl-6-phenyl-7-propan-2-yl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is sourced from PubChem (CID 118232219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).