9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole

C22H29N — CID 163822378

IUPAC9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole
SMILESCCC(C)[C@H](C)[C@@H](C)[C@H](C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H29N/c1-6-15(2)16(3)17(4)18(5)23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-18H,6H2,1-5H3/t15?,16-,17+,18-/m0/s1
InChIKeyNWMZDHGFCCDKJD-FBVQUNGASA-N
MW307.48 g/mol
LogP6.67
Rot. Bonds5

About 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole

9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole (PubChem CID 163822378) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole.

Molecular Properties

Compound Name9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole
PubChem CID163822378
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole
SMILESCCC(C)[C@H](C)[C@@H](C)[C@H](C)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H29N/c1-6-15(2)16(3)17(4)18(5)23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-18H,6H2,1-5H3/t15?,16-,17+,18-/m0/s1
InChIKeyNWMZDHGFCCDKJD-FBVQUNGASA-N
XLogP6.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylhexan-2-yl)-3-ethenyl-2-methylindole
CID 129238776
potassium;9-butan-2-ylcarbazole;methane;phosphanide;vanadium
CID 159100330
3-bromo-9-butan-2-ylcarbazole
CID 176624773
methane;9-(5-phenylhexan-3-yl)carbazole
CID 159846931
propyl 2-carbazol-9-ylpropanoate
CID 20752206
4-bromo-9-butan-2-ylcarbazole
CID 176624774
9-(1-phenylethyl)carbazole
CID 154375313
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
9-(2,5-dimethylhexan-3-yl)carbazole
CID 123957864
tert-butyl 2-carbazol-9-ylbutanoate
CID 91602000
11-propan-2-ylbenzo[a]carbazole
CID 118058944
9-(2,2-dimethylhexan-3-yl)carbazole
CID 126526957

Frequently Asked Questions

What is the IUPAC name of 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole?
The IUPAC name of 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole (CID 163822378) is 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole.
What is the SMILES notation for 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole?
The canonical SMILES for 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole is CCC(C)[C@H](C)[C@@H](C)[C@H](C)n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole?
The InChIKey is NWMZDHGFCCDKJD-FBVQUNGASA-N. The full InChI is InChI=1S/C22H29N/c1-6-15(2)16(3)17(4)18(5)23-21-13-9-7-11-19(21)20-12-8-10-14-22(20)23/h7-18H,6H2,1-5H3/t15?,16-,17+,18-/m0/s1.
What are the key properties of 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole?
9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole has a molecular weight of 307.48 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S,3R,4S)-3,4,5-trimethylheptan-2-yl]carbazole is sourced from PubChem (CID 163822378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).