3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole

C40H49NO2 — CID 67067487

IUPAC3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H49NO2/c1-5-9-11-29(7-3)27-42-35-19-13-31(14-20-35)33-17-23-39-37(25-33)38-26-34(18-24-40(38)41-39)32-15-21-36(22-16-32)43-28-30(8-4)12-10-6-2/h13-26,29-30,41H,5-12,27-28H2,1-4H3
InChIKeyBXVUBDSXYHXRSE-UHFFFAOYSA-N
MW575.84 g/mol
LogP11.85
Rot. Bonds16

About 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole

3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole (PubChem CID 67067487) has the molecular formula C40H49NO2 and a molecular weight of 575.84 g/mol. Its IUPAC name is 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole.

Molecular Properties

Compound Name3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
PubChem CID67067487
Molecular FormulaC40H49NO2
Molecular Weight575.84 g/mol
Exact Mass575.38
IUPAC Name3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C40H49NO2/c1-5-9-11-29(7-3)27-42-35-19-13-31(14-20-35)33-17-23-39-37(25-33)38-26-34(18-24-40(38)41-39)32-15-21-36(22-16-32)43-28-30(8-4)12-10-6-2/h13-26,29-30,41H,5-12,27-28H2,1-4H3
InChIKeyBXVUBDSXYHXRSE-UHFFFAOYSA-N
XLogP11.85
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.84
LogP ≤ 511.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-[(2R)-2-butyloctoxy]-4-[4-[4-[4-[(2S)-2-butyloctoxy]phenyl]phenyl]phenyl]benzene
CID 97290699
6-[4-(2-ethylhexoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 22363294
3,5-bis[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzaldehyde
CID 87321232
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
3,5-bis[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]benzoic acid
CID 90067763
2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylbutoxy)phenyl]-5-[4-(2-ethylhexoxy)phenyl]phenyl]phenyl]-7-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-5-[3-[4-(2-ethylhexoxy)phenyl]-5-[4-(2-ethylpentoxy)phenyl]phenyl]phenyl]-9H-fluorene
CID 88938245
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896
[4-[5-[4-[4-[4-(2-ethylhexoxy)phenyl]benzoyl]oxyphenoxy]pentoxy]phenyl] 4-[4-(2-ethylhexoxy)phenyl]benzoate
CID 122380529
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939

Frequently Asked Questions

What is the IUPAC name of 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The IUPAC name of 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole (CID 67067487) is 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole.
What is the SMILES notation for 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The canonical SMILES for 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole is CCCCC(CC)COc1ccc(-c2ccc3[nH]c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1.
What is the InChIKey of 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The InChIKey is BXVUBDSXYHXRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49NO2/c1-5-9-11-29(7-3)27-42-35-19-13-31(14-20-35)33-17-23-39-37(25-33)38-26-34(18-24-40(38)41-39)32-15-21-36(22-16-32)43-28-30(8-4)12-10-6-2/h13-26,29-30,41H,5-12,27-28H2,1-4H3.
What are the key properties of 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole has a molecular weight of 575.84 g/mol, XLogP of 11.85, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole is sourced from PubChem (CID 67067487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).