10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C33H23N — CID 58131761

IUPAC10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCn1c2ccccc2c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C33H23N/c1-34-30-19-11-10-16-24(30)27-20-28-29(21-31(27)34)33(23-14-6-3-7-15-23)26-18-9-8-17-25(26)32(28)22-12-4-2-5-13-22/h2-21H,1H3
InChIKeyDEVCIQLSFKCYSR-UHFFFAOYSA-N
MW433.55 g/mol
LogP8.97
Rot. Bonds2

About 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 58131761) has the molecular formula C33H23N and a molecular weight of 433.55 g/mol. Its IUPAC name is 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID58131761
Molecular FormulaC33H23N
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC Name10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCn1c2ccccc2c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21
InChIInChI=1S/C33H23N/c1-34-30-19-11-10-16-24(30)27-20-28-29(21-31(27)34)33(23-14-6-3-7-15-23)26-18-9-8-17-25(26)32(28)22-12-4-2-5-13-22/h2-21H,1H3
InChIKeyDEVCIQLSFKCYSR-UHFFFAOYSA-N
XLogP8.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 58131761) is 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is Cn1c2ccccc2c2cc3c(-c4ccccc4)c4ccccc4c(-c4ccccc4)c3cc21.
What is the InChIKey of 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is DEVCIQLSFKCYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N/c1-34-30-19-11-10-16-24(30)27-20-28-29(21-31(27)34)33(23-14-6-3-7-15-23)26-18-9-8-17-25(26)32(28)22-12-4-2-5-13-22/h2-21H,1H3.
What are the key properties of 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 433.55 g/mol, XLogP of 8.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 58131761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).