1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole

C26H26N3+ — CID 122234360

IUPAC1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-n2cc[n+](C)c2)cc1
InChIInChI=1S/C26H26N3/c1-17-12-19(3)25-23(14-17)24-15-18(2)13-20(4)26(24)29(25)22-8-6-21(7-9-22)28-11-10-27(5)16-28/h6-16H,1-5H3/q+1
InChIKeyZWECRWAHWVQKKV-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.63
Rot. Bonds2

About 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole

1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole (PubChem CID 122234360) has the molecular formula C26H26N3+ and a molecular weight of 380.52 g/mol. Its IUPAC name is 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole
PubChem CID122234360
Molecular FormulaC26H26N3+
Molecular Weight380.52 g/mol
Exact Mass380.21
IUPAC Name1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole
SMILESCc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-n2cc[n+](C)c2)cc1
InChIInChI=1S/C26H26N3/c1-17-12-19(3)25-23(14-17)24-15-18(2)13-20(4)26(24)29(25)22-8-6-21(7-9-22)28-11-10-27(5)16-28/h6-16H,1-5H3/q+1
InChIKeyZWECRWAHWVQKKV-UHFFFAOYSA-N
XLogP5.63
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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NS-2710
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CID 5347569
BN-81,644
CID 9802572
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
FK-739
CID 23668568
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-(naphthalen-1-yl)-1H-indole-4-carbonitrile
CID 11408635
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646778
UK 34787
CID 194468
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole
CID 18976091

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole?
The IUPAC name of 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole (CID 122234360) is 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole.
What is the SMILES notation for 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole?
The canonical SMILES for 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole is Cc1cc(C)c2c(c1)c1cc(C)cc(C)c1n2-c1ccc(-n2cc[n+](C)c2)cc1.
What is the InChIKey of 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole?
The InChIKey is ZWECRWAHWVQKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N3/c1-17-12-19(3)25-23(14-17)24-15-18(2)13-20(4)26(24)29(25)22-8-6-21(7-9-22)28-11-10-27(5)16-28/h6-16H,1-5H3/q+1.
What are the key properties of 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole?
1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole has a molecular weight of 380.52 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8-tetramethyl-9-[4-(3-methylimidazol-3-ium-1-yl)phenyl]carbazole is sourced from PubChem (CID 122234360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).