10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

C35H24N4O — CID 118933126

IUPAC10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCc1nc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3cccc4c3n2c1CC4
InChIInChI=1S/C35H24N4O/c1-21-30-17-12-22-7-6-9-28-25-15-13-23(19-29(25)35(37-21)39(30)34(22)28)40-24-14-16-27-26-8-2-3-10-31(26)38(32(27)20-24)33-11-4-5-18-36-33/h2-11,13-16,18-20H,12,17H2,1H3
InChIKeyVPQGFMWFAVLTEO-UHFFFAOYSA-N
MW516.60 g/mol
LogP8.33
Rot. Bonds3

About 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene

10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (PubChem CID 118933126) has the molecular formula C35H24N4O and a molecular weight of 516.60 g/mol. Its IUPAC name is 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.

Molecular Properties

Compound Name10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
PubChem CID118933126
Molecular FormulaC35H24N4O
Molecular Weight516.60 g/mol
Exact Mass516.20
IUPAC Name10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene
SMILESCc1nc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3cccc4c3n2c1CC4
InChIInChI=1S/C35H24N4O/c1-21-30-17-12-22-7-6-9-28-25-15-13-23(19-29(25)35(37-21)39(30)34(22)28)40-24-14-16-27-26-8-2-3-10-31(26)38(32(27)20-24)33-11-4-5-18-36-33/h2-11,13-16,18-20H,12,17H2,1H3
InChIKeyVPQGFMWFAVLTEO-UHFFFAOYSA-N
XLogP8.33
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The IUPAC name of 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene (CID 118933126) is 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene.
What is the SMILES notation for 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The canonical SMILES for 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is Cc1nc2c3cc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)ccc3c3cccc4c3n2c1CC4.
What is the InChIKey of 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
The InChIKey is VPQGFMWFAVLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N4O/c1-21-30-17-12-22-7-6-9-28-25-15-13-23(19-29(25)35(37-21)39(30)34(22)28)40-24-14-16-27-26-8-2-3-10-31(26)38(32(27)20-24)33-11-4-5-18-36-33/h2-11,13-16,18-20H,12,17H2,1H3.
What are the key properties of 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene?
10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene has a molecular weight of 516.60 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxy-9,19-diazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-1(17),2(7),3,5,8,10,14(18),15-octaene is sourced from PubChem (CID 118933126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).