12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene

C25H15N — CID 100929277

IUPAC12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC1=c2c(nc3c(c2-c2ccccc2)C=c2ccccc2=3)-c2ccccc21
InChIInChI=1S/C25H15N/c1-2-8-16(9-3-1)23-21-14-17-10-4-6-12-19(17)24(21)26-25-20-13-7-5-11-18(20)15-22(23)25/h1-15H
InChIKeyQITVSKVSIFSULM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.99
Rot. Bonds1

About 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene

12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene (PubChem CID 100929277) has the molecular formula C25H15N and a molecular weight of 329.40 g/mol. Its IUPAC name is 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene.

Molecular Properties

Compound Name12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene
PubChem CID100929277
Molecular FormulaC25H15N
Molecular Weight329.40 g/mol
Exact Mass329.12
IUPAC Name12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene
SMILESC1=c2c(nc3c(c2-c2ccccc2)C=c2ccccc2=3)-c2ccccc21
InChIInChI=1S/C25H15N/c1-2-8-16(9-3-1)23-21-14-17-10-4-6-12-19(17)24(21)26-25-20-13-7-5-11-18(20)15-22(23)25/h1-15H
InChIKeyQITVSKVSIFSULM-UHFFFAOYSA-N
XLogP3.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The IUPAC name of 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene (CID 100929277) is 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene.
What is the SMILES notation for 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The canonical SMILES for 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene is C1=c2c(nc3c(c2-c2ccccc2)C=c2ccccc2=3)-c2ccccc21.
What is the InChIKey of 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
The InChIKey is QITVSKVSIFSULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N/c1-2-8-16(9-3-1)23-21-14-17-10-4-6-12-19(17)24(21)26-25-20-13-7-5-11-18(20)15-22(23)25/h1-15H.
What are the key properties of 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene?
12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene has a molecular weight of 329.40 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3,5,7,9,11,13,15,17,19-decaene is sourced from PubChem (CID 100929277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).