6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C29H25Cl2N5O — CID 5197298

IUPAC6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C29H25Cl2N5O/c1-27(2)28(3)13-14-29(27,25-24(28)33-22-15-20(30)21(31)16-23(22)34-25)26(37)32-17-9-11-19(12-10-17)36-35-18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,32,37)/b36-35+
InChIKeyPDJGOUCJMONRFG-ULDVOPSXSA-N
MW530.46 g/mol
LogP8.32
Rot. Bonds4

About 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 5197298) has the molecular formula C29H25Cl2N5O and a molecular weight of 530.46 g/mol. Its IUPAC name is 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID5197298
Molecular FormulaC29H25Cl2N5O
Molecular Weight530.46 g/mol
Exact Mass529.14
IUPAC Name6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCC12CCC(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C29H25Cl2N5O/c1-27(2)28(3)13-14-29(27,25-24(28)33-22-15-20(30)21(31)16-23(22)34-25)26(37)32-17-9-11-19(12-10-17)36-35-18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,32,37)/b36-35+
InChIKeyPDJGOUCJMONRFG-ULDVOPSXSA-N
XLogP8.32
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.46
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 5197298) is 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is CC12CCC(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is PDJGOUCJMONRFG-ULDVOPSXSA-N. The full InChI is InChI=1S/C29H25Cl2N5O/c1-27(2)28(3)13-14-29(27,25-24(28)33-22-15-20(30)21(31)16-23(22)34-25)26(37)32-17-9-11-19(12-10-17)36-35-18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H,32,37)/b36-35+.
What are the key properties of 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 530.46 g/mol, XLogP of 8.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-12,15,15-trimethyl-N-(4-phenyldiazenylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 5197298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).