9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole

C26H23N — CID 153374745

IUPAC9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(Cc3ccc(C)c4ccccc34)ccc21
InChIInChI=1S/C26H23N/c1-3-27-25-11-7-6-10-23(25)24-17-19(13-15-26(24)27)16-20-14-12-18(2)21-8-4-5-9-22(20)21/h4-15,17H,3,16H2,1-2H3
InChIKeyCPJMORRKEKCYTM-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.87
Rot. Bonds3

About 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole

9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole (PubChem CID 153374745) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole.

Molecular Properties

Compound Name9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
PubChem CID153374745
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole
SMILESCCn1c2ccccc2c2cc(Cc3ccc(C)c4ccccc34)ccc21
InChIInChI=1S/C26H23N/c1-3-27-25-11-7-6-10-23(25)24-17-19(13-15-26(24)27)16-20-14-12-18(2)21-8-4-5-9-22(20)21/h4-15,17H,3,16H2,1-2H3
InChIKeyCPJMORRKEKCYTM-UHFFFAOYSA-N
XLogP6.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole?
The IUPAC name of 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole (CID 153374745) is 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole.
What is the SMILES notation for 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole?
The canonical SMILES for 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole is CCn1c2ccccc2c2cc(Cc3ccc(C)c4ccccc34)ccc21.
What is the InChIKey of 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole?
The InChIKey is CPJMORRKEKCYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-3-27-25-11-7-6-10-23(25)24-17-19(13-15-26(24)27)16-20-14-12-18(2)21-8-4-5-9-22(20)21/h4-15,17H,3,16H2,1-2H3.
What are the key properties of 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole?
9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole has a molecular weight of 349.48 g/mol, XLogP of 6.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3-[(4-methylnaphthalen-1-yl)methyl]carbazole is sourced from PubChem (CID 153374745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).