3-butan-2-yl-9-phenylcarbazole

C22H21N — CID 23520668

IUPAC3-butan-2-yl-9-phenylcarbazole
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H21N/c1-3-16(2)17-13-14-22-20(15-17)19-11-7-8-12-21(19)23(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyFREMPSJNXWXILD-UHFFFAOYSA-N
MW299.42 g/mol
LogP6.30
Rot. Bonds3

About 3-butan-2-yl-9-phenylcarbazole

3-butan-2-yl-9-phenylcarbazole (PubChem CID 23520668) has the molecular formula C22H21N and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-butan-2-yl-9-phenylcarbazole.

Molecular Properties

Compound Name3-butan-2-yl-9-phenylcarbazole
PubChem CID23520668
Molecular FormulaC22H21N
Molecular Weight299.42 g/mol
Exact Mass299.17
IUPAC Name3-butan-2-yl-9-phenylcarbazole
SMILESCCC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C22H21N/c1-3-16(2)17-13-14-22-20(15-17)19-11-7-8-12-21(19)23(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyFREMPSJNXWXILD-UHFFFAOYSA-N
XLogP6.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.42
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-butan-2-ylcarbazol-9-yl)-N,N-diphenylaniline
CID 163736875
3-butan-2-yl-9-ethylcarbazole
CID 23520664
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222
4-(6-butan-2-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 59828050
3-N-(6-butan-2-yl-9-phenylcarbazol-3-yl)-6-N-(6-tert-butyl-9-phenylcarbazol-3-yl)-3-N,6-N,9-triphenylcarbazole-3,6-diamine
CID 89336918
4-(4-butan-2-ylphenyl)-9-phenylcarbazole;methane
CID 162000855
4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858265
N-(4-butan-2-ylphenyl)-N-(4-carbazol-9-ylphenyl)naphthalen-2-amine
CID 59747054
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-(3-butan-2-ylphenyl)-3-[6-[9-(3-butan-2-ylphenyl)carbazol-3-yl]-9H-fluoren-3-yl]carbazole
CID 158090751
9-(4-butan-2-ylphenyl)pyrido[2,3-b]indole
CID 59344123
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-9-phenylcarbazole?
The IUPAC name of 3-butan-2-yl-9-phenylcarbazole (CID 23520668) is 3-butan-2-yl-9-phenylcarbazole.
What is the SMILES notation for 3-butan-2-yl-9-phenylcarbazole?
The canonical SMILES for 3-butan-2-yl-9-phenylcarbazole is CCC(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-butan-2-yl-9-phenylcarbazole?
The InChIKey is FREMPSJNXWXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N/c1-3-16(2)17-13-14-22-20(15-17)19-11-7-8-12-21(19)23(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3.
What are the key properties of 3-butan-2-yl-9-phenylcarbazole?
3-butan-2-yl-9-phenylcarbazole has a molecular weight of 299.42 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-9-phenylcarbazole is sourced from PubChem (CID 23520668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).