9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol

C35H24N2O — CID 168810900

IUPAC9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(N3C=C4C(=CC3)c3ccccc3-c3ccccc3-c3ccccc34)c2c1
InChIInChI=1S/C35H24N2O/c38-23-17-18-32-31-15-7-8-16-34(31)37(35(32)21-23)36-20-19-30-28-13-4-3-11-26(28)24-9-1-2-10-25(24)27-12-5-6-14-29(27)33(30)22-36/h1-19,21-22,38H,20H2
InChIKeyUNLPBTIXBXLZBA-UHFFFAOYSA-N
MW488.59 g/mol
LogP8.22
Rot. Bonds1

About 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol

9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol (PubChem CID 168810900) has the molecular formula C35H24N2O and a molecular weight of 488.59 g/mol. Its IUPAC name is 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol.

Molecular Properties

Compound Name9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol
PubChem CID168810900
Molecular FormulaC35H24N2O
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol
SMILESOc1ccc2c3ccccc3n(N3C=C4C(=CC3)c3ccccc3-c3ccccc3-c3ccccc34)c2c1
InChIInChI=1S/C35H24N2O/c38-23-17-18-32-31-15-7-8-16-34(31)37(35(32)21-23)36-20-19-30-28-13-4-3-11-26(28)24-9-1-2-10-25(24)27-12-5-6-14-29(27)33(30)22-36/h1-19,21-22,38H,20H2
InChIKeyUNLPBTIXBXLZBA-UHFFFAOYSA-N
XLogP8.22
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol?
The IUPAC name of 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol (CID 168810900) is 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol.
What is the SMILES notation for 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol?
The canonical SMILES for 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol is Oc1ccc2c3ccccc3n(N3C=C4C(=CC3)c3ccccc3-c3ccccc3-c3ccccc34)c2c1.
What is the InChIKey of 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol?
The InChIKey is UNLPBTIXBXLZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O/c38-23-17-18-32-31-15-7-8-16-34(31)37(35(32)21-23)36-20-19-30-28-13-4-3-11-26(28)24-9-1-2-10-25(24)27-12-5-6-14-29(27)33(30)22-36/h1-19,21-22,38H,20H2.
What are the key properties of 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol?
9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol has a molecular weight of 488.59 g/mol, XLogP of 8.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-azapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,6,8,10,12,14,16,18,20,22-undecaen-4-yl)carbazol-2-ol is sourced from PubChem (CID 168810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).