9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole

C31H47N — CID 134388506

IUPAC9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
SMILESCCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21
InChIInChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3
InChIKeyKMDSLKSYIXEZPM-UHFFFAOYSA-N
MW433.72 g/mol
LogP9.78
Rot. Bonds11

About 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole

9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole (PubChem CID 134388506) has the molecular formula C31H47N and a molecular weight of 433.72 g/mol. Its IUPAC name is 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole.

Molecular Properties

Compound Name9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
PubChem CID134388506
Molecular FormulaC31H47N
Molecular Weight433.72 g/mol
Exact Mass433.37
IUPAC Name9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole
SMILESCCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21
InChIInChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3
InChIKeyKMDSLKSYIXEZPM-UHFFFAOYSA-N
XLogP9.78
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
9-(2-ethylhexyl)-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-dicarboxamide
CID 100974240
3,6-bis(9-butylcarbazol-3-yl)-9-(2-ethylhexyl)carbazole
CID 102226013
2,7-dibromo-9-(2-ethylhexyl)-3,6-dinitrocarbazole
CID 12982433
4-[3-[9-(2-ethylhexyl)-6-(3-morpholin-4-ylpropyl)carbazol-3-yl]propyl]morpholine
CID 170869574
1-(2-methylbutan-2-yl)-5-(2-methylhexan-2-yl)indole
CID 154980919
3,6-ditert-butyl-9-heptylcarbazole
CID 146635987
3,6-ditert-butyl-9-hexylcarbazole
CID 146671988
[5-[9-(2-ethylhexyl)-7-(5-trimethylstannylthiophen-2-yl)carbazol-2-yl]thiophen-2-yl]-trimethylstannane
CID 145188905
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404159
9-(2-decyltetradecyl)carbazole
CID 86094421
22-(2-ethylhexyl)-10-thia-22-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 25212620

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The IUPAC name of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole (CID 134388506) is 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole.
What is the SMILES notation for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The canonical SMILES for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole is CCCCC(CC)Cn1c2ccc(C(C)(C)CC)cc2c2cc(C(C)(C)CCC)ccc21.
What is the InChIKey of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
The InChIKey is KMDSLKSYIXEZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N/c1-9-13-14-23(11-3)22-32-28-17-15-24(30(5,6)12-4)20-26(28)27-21-25(16-18-29(27)32)31(7,8)19-10-2/h15-18,20-21,23H,9-14,19,22H2,1-8H3.
What are the key properties of 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole?
9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole has a molecular weight of 433.72 g/mol, XLogP of 9.78, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylhexyl)-3-(2-methylbutan-2-yl)-6-(2-methylpentan-2-yl)carbazole is sourced from PubChem (CID 134388506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).