9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole

C27H26N2 — CID 171967830

IUPAC9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
SMILESCN1C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2
InChIInChI=1S/C27H26N2/c1-28-22-7-6-8-23(28)18-20(17-22)19-13-15-21(16-14-19)29-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29/h2-5,9-17,22-23H,6-8,18H2,1H3
InChIKeyWJJAQTXHUCOXGO-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.42
Rot. Bonds2

About 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole

9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole (PubChem CID 171967830) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
PubChem CID171967830
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole
SMILESCN1C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2
InChIInChI=1S/C27H26N2/c1-28-22-7-6-8-23(28)18-20(17-22)19-13-15-21(16-14-19)29-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29/h2-5,9-17,22-23H,6-8,18H2,1H3
InChIKeyWJJAQTXHUCOXGO-UHFFFAOYSA-N
XLogP6.42
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole (CID 171967830) is 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole is CN1C2C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)CC1CCC2.
What is the InChIKey of 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole?
The InChIKey is WJJAQTXHUCOXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-28-22-7-6-8-23(28)18-20(17-22)19-13-15-21(16-14-19)29-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29/h2-5,9-17,22-23H,6-8,18H2,1H3.
What are the key properties of 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole?
9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole has a molecular weight of 378.52 g/mol, XLogP of 6.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-methyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]carbazole is sourced from PubChem (CID 171967830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).