1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane

C29H45N — CID 162006022

IUPAC1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.Cc1c(C(C)C)ccc2c3ccccc3n(C(C)C)c12
InChIInChI=1S/C19H23N.C10H22/c1-12(2)15-10-11-17-16-8-6-7-9-18(16)20(13(3)4)19(17)14(15)5;1-8(2)6-10(5)7-9(3)4/h6-13H,1-5H3;8-10H,6-7H2,1-5H3
InChIKeyYSVQPRPTALYZTR-UHFFFAOYSA-N
MW407.69 g/mol
LogP9.52
Rot. Bonds6

About 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane

1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane (PubChem CID 162006022) has the molecular formula C29H45N and a molecular weight of 407.69 g/mol. Its IUPAC name is 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane.

Molecular Properties

Compound Name1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane
PubChem CID162006022
Molecular FormulaC29H45N
Molecular Weight407.69 g/mol
Exact Mass407.36
IUPAC Name1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane
SMILESCC(C)CC(C)CC(C)C.Cc1c(C(C)C)ccc2c3ccccc3n(C(C)C)c12
InChIInChI=1S/C19H23N.C10H22/c1-12(2)15-10-11-17-16-8-6-7-9-18(16)20(13(3)4)19(17)14(15)5;1-8(2)6-10(5)7-9(3)4/h6-13H,1-5H3;8-10H,6-7H2,1-5H3
InChIKeyYSVQPRPTALYZTR-UHFFFAOYSA-N
XLogP9.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Iprindole
CID 21722
Rimcazole
CID 53389
Mebhydrolin
CID 22530
3-Amino-9-ethylcarbazole
CID 8588
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1-Methyl-2-phenylindole
CID 77095
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
Benzo[a]carbazole
CID 9196
9H-Carbazole-9-methanol
CID 75480

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane?
The IUPAC name of 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane (CID 162006022) is 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane.
What is the SMILES notation for 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane?
The canonical SMILES for 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane is CC(C)CC(C)CC(C)C.Cc1c(C(C)C)ccc2c3ccccc3n(C(C)C)c12.
What is the InChIKey of 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane?
The InChIKey is YSVQPRPTALYZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N.C10H22/c1-12(2)15-10-11-17-16-8-6-7-9-18(16)20(13(3)4)19(17)14(15)5;1-8(2)6-10(5)7-9(3)4/h6-13H,1-5H3;8-10H,6-7H2,1-5H3.
What are the key properties of 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane?
1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane has a molecular weight of 407.69 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,9-di(propan-2-yl)carbazole;2,4,6-trimethylheptane is sourced from PubChem (CID 162006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).