3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole

C25H23N — CID 58282028

IUPAC3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole
SMILESC=C/C=C/Cc1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C25H23N/c1-4-5-6-8-20-9-7-10-21(17-20)26-24-13-11-18(2)15-22(24)23-16-19(3)12-14-25(23)26/h4-7,9-17H,1,8H2,2-3H3/b6-5+
InChIKeyQCXUGVOCDBXQFY-AATRIKPKSA-N
MW337.47 g/mol
LogP6.69
Rot. Bonds4

About 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole

3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole (PubChem CID 58282028) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole
PubChem CID58282028
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole
SMILESC=C/C=C/Cc1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1
InChIInChI=1S/C25H23N/c1-4-5-6-8-20-9-7-10-21(17-20)26-24-13-11-18(2)15-22(24)23-16-19(3)12-14-25(23)26/h4-7,9-17H,1,8H2,2-3H3/b6-5+
InChIKeyQCXUGVOCDBXQFY-AATRIKPKSA-N
XLogP6.69
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
CID 144541203
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
3,6-dimethyl-9-[6-methyl-9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 59412024
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-3,6-dimethylcarbazole;2-methyl-9-[3-(2-methylcarbazol-9-yl)phenyl]carbazole;3-methyl-9-[3-[3-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 160993744
9-(3,5-dimethylphenyl)-3,6-dimethylcarbazole
CID 138699297
9-phenyl-3-prop-2-enylcarbazole
CID 123281501
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
2,7-dimethyl-9-[3-[(5E)-octa-5,7-dienyl]phenyl]-9-[3-[(2E)-penta-2,4-dienyl]phenyl]fluorene
CID 123493636
3-[2-[(1Z)-buta-1,3-dienyl]-1-methyl-3,3a-dihydroimidazo[1,2-a]benzimidazol-4-yl]-6-methyl-9-phenylcarbazole
CID 146532126
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
3-methyl-9-(3-propan-2-ylphenyl)carbazole
CID 163993337
9-(3-carbazol-9-ylphenyl)carbazole;9-(4-carbazol-9-ylphenyl)carbazole;3,6-dimethyl-9-phenylcarbazole;ethane;2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159290394

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole?
The IUPAC name of 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole (CID 58282028) is 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole.
What is the SMILES notation for 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole?
The canonical SMILES for 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole is C=C/C=C/Cc1cccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.
What is the InChIKey of 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole?
The InChIKey is QCXUGVOCDBXQFY-AATRIKPKSA-N. The full InChI is InChI=1S/C25H23N/c1-4-5-6-8-20-9-7-10-21(17-20)26-24-13-11-18(2)15-22(24)23-16-19(3)12-14-25(23)26/h4-7,9-17H,1,8H2,2-3H3/b6-5+.
What are the key properties of 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole?
3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole has a molecular weight of 337.47 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-9-[3-[(2E)-penta-2,4-dienyl]phenyl]carbazole is sourced from PubChem (CID 58282028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).