1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole

C23H27N — CID 23527710

IUPAC1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole
SMILESCC#Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2C
InChIInChI=1S/C23H27N/c1-10-11-19-14(4)17(7)23-21(18(19)8)20-15(5)12(2)13(3)16(6)22(20)24(23)9/h1-9H3
InChIKeyREQSPBAIBMJSJK-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.86
Rot. Bonds

About 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole

1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole (PubChem CID 23527710) has the molecular formula C23H27N and a molecular weight of 317.48 g/mol. Its IUPAC name is 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole.

Molecular Properties

Compound Name1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole
PubChem CID23527710
Molecular FormulaC23H27N
Molecular Weight317.48 g/mol
Exact Mass317.21
IUPAC Name1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole
SMILESCC#Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2C
InChIInChI=1S/C23H27N/c1-10-11-19-14(4)17(7)23-21(18(19)8)20-15(5)12(2)13(3)16(6)22(20)24(23)9/h1-9H3
InChIKeyREQSPBAIBMJSJK-UHFFFAOYSA-N
XLogP5.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,3,4,5,6,7,8,9-nonamethylcarbazole
CID 158365814
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CID 170288713
1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
2-[9-(1,3,4,5,6,7-hexamethylindol-2-yl)-1,2,3,4,5,6,8-heptamethyl-7-(2,3,4,5,6-pentamethylphenyl)fluoren-9-yl]-1,3,4,5,6,7-hexamethylindole
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1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole?
The IUPAC name of 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole (CID 23527710) is 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole.
What is the SMILES notation for 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole?
The canonical SMILES for 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole is CC#Cc1c(C)c(C)c2c(c1C)c1c(C)c(C)c(C)c(C)c1n2C.
What is the InChIKey of 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole?
The InChIKey is REQSPBAIBMJSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N/c1-10-11-19-14(4)17(7)23-21(18(19)8)20-15(5)12(2)13(3)16(6)22(20)24(23)9/h1-9H3.
What are the key properties of 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole?
1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole has a molecular weight of 317.48 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8,9-octamethyl-6-prop-1-ynylcarbazole is sourced from PubChem (CID 23527710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).