3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole

C25H20N2 — CID 153391193

IUPAC3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole
SMILESC=C1C=CC=CN1c1cc2c(cc1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H20N2/c1-18-16-22-21-13-6-7-14-23(21)27(20-11-4-3-5-12-20)25(22)17-24(18)26-15-9-8-10-19(26)2/h3-17H,2H2,1H3
InChIKeyTUBXQWKVCIXEIV-UHFFFAOYSA-N
MW348.45 g/mol
LogP6.50
Rot. Bonds2

About 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole

3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole (PubChem CID 153391193) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole
PubChem CID153391193
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole
SMILESC=C1C=CC=CN1c1cc2c(cc1C)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C25H20N2/c1-18-16-22-21-13-6-7-14-23(21)27(20-11-4-3-5-12-20)25(22)17-24(18)26-15-9-8-10-19(26)2/h3-17H,2H2,1H3
InChIKeyTUBXQWKVCIXEIV-UHFFFAOYSA-N
XLogP6.50
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole?
The IUPAC name of 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole (CID 153391193) is 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole.
What is the SMILES notation for 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole?
The canonical SMILES for 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole is C=C1C=CC=CN1c1cc2c(cc1C)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole?
The InChIKey is TUBXQWKVCIXEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2/c1-18-16-22-21-13-6-7-14-23(21)27(20-11-4-3-5-12-20)25(22)17-24(18)26-15-9-8-10-19(26)2/h3-17H,2H2,1H3.
What are the key properties of 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole?
3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole has a molecular weight of 348.45 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylidene-1-pyridinyl)-9-phenylcarbazole is sourced from PubChem (CID 153391193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).