6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

C28H24Cl2N4O — CID 18834720

IUPAC6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C28H24Cl2N4O/c1-27(2)19-13-14-28(27,25-24(19)31-22-15-20(29)21(30)16-23(22)32-25)26(35)33-34(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3,(H,33,35)
InChIKeyGIHZDWWDILTNKJ-UHFFFAOYSA-N
MW503.43 g/mol
LogP6.96
Rot. Bonds4

About 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide

6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (PubChem CID 18834720) has the molecular formula C28H24Cl2N4O and a molecular weight of 503.43 g/mol. Its IUPAC name is 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.

Molecular Properties

Compound Name6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
PubChem CID18834720
Molecular FormulaC28H24Cl2N4O
Molecular Weight503.43 g/mol
Exact Mass502.13
IUPAC Name6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
SMILESCC1(C)C2CCC1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12
InChIInChI=1S/C28H24Cl2N4O/c1-27(2)19-13-14-28(27,25-24(19)31-22-15-20(29)21(30)16-23(22)32-25)26(35)33-34(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3,(H,33,35)
InChIKeyGIHZDWWDILTNKJ-UHFFFAOYSA-N
XLogP6.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.43
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The IUPAC name of 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide (CID 18834720) is 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide.
What is the SMILES notation for 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The canonical SMILES for 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is CC1(C)C2CCC1(C(=O)NN(c1ccccc1)c1ccccc1)c1nc3cc(Cl)c(Cl)cc3nc12.
What is the InChIKey of 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
The InChIKey is GIHZDWWDILTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O/c1-27(2)19-13-14-28(27,25-24(19)31-22-15-20(29)21(30)16-23(22)32-25)26(35)33-34(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,19H,13-14H2,1-2H3,(H,33,35).
What are the key properties of 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide?
6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide has a molecular weight of 503.43 g/mol, XLogP of 6.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-15,15-dimethyl-N',N'-diphenyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide is sourced from PubChem (CID 18834720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).