9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene

C39H28N6O — CID 153411441

IUPAC9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
SMILESCc1ccc2c(c1)c1c(C)nc(Oc3cccc(-n4c5ccccc5c5ccccc54)n3)cc1c1nnc(-c3ccccc3C)n21
InChIInChI=1S/C39H28N6O/c1-23-19-20-33-29(21-23)37-25(3)40-36(22-30(37)39-43-42-38(45(33)39)26-12-5-4-11-24(26)2)46-35-18-10-17-34(41-35)44-31-15-8-6-13-27(31)28-14-7-9-16-32(28)44/h4-22H,1-3H3
InChIKeyVIMLSCXRRXUFKH-UHFFFAOYSA-N
MW596.69 g/mol
LogP9.31
Rot. Bonds4

About 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene

9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene (PubChem CID 153411441) has the molecular formula C39H28N6O and a molecular weight of 596.69 g/mol. Its IUPAC name is 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene.

Molecular Properties

Compound Name9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
PubChem CID153411441
Molecular FormulaC39H28N6O
Molecular Weight596.69 g/mol
Exact Mass596.23
IUPAC Name9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
SMILESCc1ccc2c(c1)c1c(C)nc(Oc3cccc(-n4c5ccccc5c5ccccc54)n3)cc1c1nnc(-c3ccccc3C)n21
InChIInChI=1S/C39H28N6O/c1-23-19-20-33-29(21-23)37-25(3)40-36(22-30(37)39-43-42-38(45(33)39)26-12-5-4-11-24(26)2)46-35-18-10-17-34(41-35)44-31-15-8-6-13-27(31)28-14-7-9-16-32(28)44/h4-22H,1-3H3
InChIKeyVIMLSCXRRXUFKH-UHFFFAOYSA-N
XLogP9.31
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.69
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

16-methyl-3-(2-propan-2-ylphenyl)-9-(5-pyridin-2-ylpyrido[4,3-b]indol-3-yl)oxy-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene
CID 153411389
3-(2-methylphenyl)-11-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411411
7-methyl-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123439706
3-(2,6-dimethylphenyl)-10-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 153411687
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
3-(4-methylnaphthalen-1-yl)-[1,2,4]triazolo[4,3-f]phenanthridine
CID 123982801
3-(2,6-dimethylphenyl)-7-isocyano-11-[9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411405
N-[3-[[7-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-f]phenanthridin-11-yl]oxy]phenyl]-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 153411449
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
8-(2,6-dimethylphenyl)-3-methyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411649
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361

Frequently Asked Questions

What is the IUPAC name of 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene?
The IUPAC name of 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene (CID 153411441) is 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene.
What is the SMILES notation for 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene?
The canonical SMILES for 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene is Cc1ccc2c(c1)c1c(C)nc(Oc3cccc(-n4c5ccccc5c5ccccc54)n3)cc1c1nnc(-c3ccccc3C)n21.
What is the InChIKey of 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene?
The InChIKey is VIMLSCXRRXUFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N6O/c1-23-19-20-33-29(21-23)37-25(3)40-36(22-30(37)39-43-42-38(45(33)39)26-12-5-4-11-24(26)2)46-35-18-10-17-34(41-35)44-31-15-8-6-13-27(31)28-14-7-9-16-32(28)44/h4-22H,1-3H3.
What are the key properties of 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene?
9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene has a molecular weight of 596.69 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-carbazol-9-yl-2-pyridinyl)oxy]-11,15-dimethyl-3-(2-methylphenyl)-2,4,5,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7,9,11,14,16-octaene is sourced from PubChem (CID 153411441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).