methyl 9-phenylcarbazole-3-carboxylate

C20H15NO2 — CID 164892004

IUPACmethyl 9-phenylcarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H15NO2/c1-23-20(22)14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyZCSMPRZUBPSAGA-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.57
Rot. Bonds2

About methyl 9-phenylcarbazole-3-carboxylate

methyl 9-phenylcarbazole-3-carboxylate (PubChem CID 164892004) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 9-phenylcarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-phenylcarbazole-3-carboxylate
PubChem CID164892004
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Namemethyl 9-phenylcarbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C20H15NO2/c1-23-20(22)14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyZCSMPRZUBPSAGA-UHFFFAOYSA-N
XLogP4.57
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]anilino)carbazol-9-yl]benzoate
CID 126595795
2-oxo-2-(9-phenylcarbazol-3-yl)acetic acid
CID 22287027
methyl 2-benzyl-4-phenylpyrrolo[3,4-b]indole-7-carboxylate
CID 157037213
methyl 4-[3-[N-[9-(4-methoxycarbonylphenyl)carbazol-3-yl]-4-[4-(4-phenylphenyl)phenyl]anilino]carbazol-9-yl]benzoate
CID 126595688
methyl 4-[3-[bis[9-(4-methylphenyl)carbazol-3-yl]amino]carbazol-9-yl]benzoate
CID 126585601
methyl 9-(4-octylphenyl)-6-[9-(4-octylphenyl)carbazole-3-carbonyl]carbazole-3-carboxylate
CID 101462869
(Z)-4-methoxy-3-[4-(9-phenylcarbazol-3-yl)phenyl]pent-3-en-2-one
CID 134598525
dimethyl 9-(4-cyanophenyl)carbazole-3,6-dicarboxylate
CID 146674997
methyl 4-[6-phenyl-2-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]benzoate
CID 121276765
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
1-(9-phenylcarbazol-3-yl)pentan-1-one
CID 140927753
methyl 3-[3-(N-(4-carbazol-9-ylphenyl)anilino)-10-(3-methoxycarbonylphenyl)anthracen-9-yl]benzoate
CID 59211124

Frequently Asked Questions

What is the IUPAC name of methyl 9-phenylcarbazole-3-carboxylate?
The IUPAC name of methyl 9-phenylcarbazole-3-carboxylate (CID 164892004) is methyl 9-phenylcarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-phenylcarbazole-3-carboxylate?
The canonical SMILES for methyl 9-phenylcarbazole-3-carboxylate is COC(=O)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of methyl 9-phenylcarbazole-3-carboxylate?
The InChIKey is ZCSMPRZUBPSAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-23-20(22)14-11-12-19-17(13-14)16-9-5-6-10-18(16)21(19)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of methyl 9-phenylcarbazole-3-carboxylate?
methyl 9-phenylcarbazole-3-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-phenylcarbazole-3-carboxylate is sourced from PubChem (CID 164892004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).