9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole

C33H51N — CID 153380542

IUPAC9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
SMILESCCCCCCCC(CCCCCC)Cn1c2cc(C(C)C)ccc2c2ccc(C(C)C)cc21
InChIInChI=1S/C33H51N/c1-7-9-11-13-15-17-27(16-14-12-10-8-2)24-34-32-22-28(25(3)4)18-20-30(32)31-21-19-29(26(5)6)23-33(31)34/h18-23,25-27H,7-17,24H2,1-6H3
InChIKeyGMRQLMPIKZBSPC-UHFFFAOYSA-N
MW461.78 g/mol
LogP10.99
Rot. Bonds15

About 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole

9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole (PubChem CID 153380542) has the molecular formula C33H51N and a molecular weight of 461.78 g/mol. Its IUPAC name is 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole.

Molecular Properties

Compound Name9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
PubChem CID153380542
Molecular FormulaC33H51N
Molecular Weight461.78 g/mol
Exact Mass461.40
IUPAC Name9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole
SMILESCCCCCCCC(CCCCCC)Cn1c2cc(C(C)C)ccc2c2ccc(C(C)C)cc21
InChIInChI=1S/C33H51N/c1-7-9-11-13-15-17-27(16-14-12-10-8-2)24-34-32-22-28(25(3)4)18-20-30(32)31-21-19-29(26(5)6)23-33(31)34/h18-23,25-27H,7-17,24H2,1-6H3
InChIKeyGMRQLMPIKZBSPC-UHFFFAOYSA-N
XLogP10.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.78
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,7-dibromo-9-(2-butylheptyl)-3,6-diiodocarbazole
CID 141263543
15-(2-decyltetradecyl)-5,25-dithia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 122382230
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CID 171665990
2,9-bis(2-butyloctyl)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
CID 102220061
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
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[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
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Frequently Asked Questions

What is the IUPAC name of 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole?
The IUPAC name of 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole (CID 153380542) is 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole.
What is the SMILES notation for 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole?
The canonical SMILES for 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole is CCCCCCCC(CCCCCC)Cn1c2cc(C(C)C)ccc2c2ccc(C(C)C)cc21.
What is the InChIKey of 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole?
The InChIKey is GMRQLMPIKZBSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N/c1-7-9-11-13-15-17-27(16-14-12-10-8-2)24-34-32-22-28(25(3)4)18-20-30(32)31-21-19-29(26(5)6)23-33(31)34/h18-23,25-27H,7-17,24H2,1-6H3.
What are the key properties of 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole?
9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole has a molecular weight of 461.78 g/mol, XLogP of 10.99, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hexylnonyl)-2,7-di(propan-2-yl)carbazole is sourced from PubChem (CID 153380542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).