3,6-dimethyl-9-(4-pentoxyphenyl)carbazole

C25H27NO — CID 59683855

IUPAC3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
SMILESCCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H27NO/c1-4-5-6-15-27-21-11-9-20(10-12-21)26-24-13-7-18(2)16-22(24)23-17-19(3)8-14-25(23)26/h7-14,16-17H,4-6,15H2,1-3H3
InChIKeyYGSNIJRPYXKINK-UHFFFAOYSA-N
MW357.50 g/mol
LogP6.97
Rot. Bonds6

About 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole

3,6-dimethyl-9-(4-pentoxyphenyl)carbazole (PubChem CID 59683855) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
PubChem CID59683855
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
SMILESCCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1
InChIInChI=1S/C25H27NO/c1-4-5-6-15-27-21-11-9-20(10-12-21)26-24-13-7-18(2)16-22(24)23-17-19(3)8-14-25(23)26/h7-14,16-17H,4-6,15H2,1-3H3
InChIKeyYGSNIJRPYXKINK-UHFFFAOYSA-N
XLogP6.97
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-9-(4-octoxyphenyl)carbazole
CID 21042265
9,18,27-tris(4-hexoxyphenyl)-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 130472931
1,4-dipentoxybenzene
CID 18314717
9H-carbazole;9-[4-(4-dodecoxyphenyl)phenyl]carbazole
CID 161246536
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[5-[4-(3,6-dihexoxycarbazol-9-yl)phenyl]thiophen-2-yl]-7-[5-[4-(3-hexoxy-6-pentoxycarbazol-9-yl)phenyl]thiophen-2-yl]fluoren-9-one
CID 171056028
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
9-[4-[(2Z)-3,4-difluoropenta-2,4-dienoxy]phenyl]-3,6-dimethylcarbazole
CID 58282046
9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872
9-(4-iodophenyl)-3,6-dimethylcarbazole
CID 141350753

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole?
The IUPAC name of 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole (CID 59683855) is 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole.
What is the SMILES notation for 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole?
The canonical SMILES for 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole is CCCCCOc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)cc1.
What is the InChIKey of 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole?
The InChIKey is YGSNIJRPYXKINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-4-5-6-15-27-21-11-9-20(10-12-21)26-24-13-7-18(2)16-22(24)23-17-19(3)8-14-25(23)26/h7-14,16-17H,4-6,15H2,1-3H3.
What are the key properties of 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole?
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole has a molecular weight of 357.50 g/mol, XLogP of 6.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-(4-pentoxyphenyl)carbazole is sourced from PubChem (CID 59683855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).