9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole

C20H14FN5 — CID 57457088

IUPAC9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESFc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C20H14FN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25)
InChIKeyNMVQZWLVPWJJMW-UHFFFAOYSA-N
MW343.37 g/mol
LogP4.16
Rot. Bonds3

About 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole

9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (PubChem CID 57457088) has the molecular formula C20H14FN5 and a molecular weight of 343.37 g/mol. Its IUPAC name is 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.

Molecular Properties

Compound Name9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
PubChem CID57457088
Molecular FormulaC20H14FN5
Molecular Weight343.37 g/mol
Exact Mass343.12
IUPAC Name9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
SMILESFc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1
InChIInChI=1S/C20H14FN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25)
InChIKeyNMVQZWLVPWJJMW-UHFFFAOYSA-N
XLogP4.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-bromophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457084
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzonitrile
CID 57457097
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
9-[(3-nitrophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole
CID 57457101
9-[(4-fluorophenyl)methyl]-N-[9-[(4-fluorophenyl)methyl]carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760482
9-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]carbazole
CID 102165826
9-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-3,4-dihydrocarbazole
CID 51049466
2-[3-(2H-tetrazol-5-yl)carbazol-9-yl]hexanamide
CID 91182343
4-hydroxy-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-2-one
CID 54726671
1,3-diethyl-5-fluoro-2-(2H-tetrazol-5-yl)indole
CID 175114950
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
5-(9-benzylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 170946861

Frequently Asked Questions

What is the IUPAC name of 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The IUPAC name of 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole (CID 57457088) is 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole.
What is the SMILES notation for 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The canonical SMILES for 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is Fc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1.
What is the InChIKey of 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
The InChIKey is NMVQZWLVPWJJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20-22-24-25-23-20/h1-11H,12H2,(H,22,23,24,25).
What are the key properties of 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole?
9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole has a molecular weight of 343.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-fluorophenyl)methyl]-3-(2H-tetrazol-5-yl)carbazole is sourced from PubChem (CID 57457088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).