3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole

C29H31N3 — CID 175094962

IUPAC3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C29H31N3/c1-28(2,3)20-10-12-26-24(16-20)25-17-21(29(4,5)6)11-13-27(25)32(26)23-9-7-8-22(18-23)31-15-14-30-19-31/h7-19H,1-6H3
InChIKeyUPELGEXMIMBMHU-UHFFFAOYSA-N
MW421.59 g/mol
LogP7.56
Rot. Bonds2

About 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole

3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole (PubChem CID 175094962) has the molecular formula C29H31N3 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
PubChem CID175094962
Molecular FormulaC29H31N3
Molecular Weight421.59 g/mol
Exact Mass421.25
IUPAC Name3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C29H31N3/c1-28(2,3)20-10-12-26-24(16-20)25-17-21(29(4,5)6)11-13-27(25)32(26)23-9-7-8-22(18-23)31-15-14-30-19-31/h7-19H,1-6H3
InChIKeyUPELGEXMIMBMHU-UHFFFAOYSA-N
XLogP7.56
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butylphenyl)imidazole
CID 59332766
9-(3-imidazol-1-ylphenyl)-3,6-diphenylcarbazole
CID 175102153
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
3,6-ditert-butyl-9-[3-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433856
10-[3,5-di(imidazol-1-yl)phenyl]-20-phenyl-6,10,16,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 144750472
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenylaniline
CID 175173187
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-iodophenyl]carbazole
CID 167114372
9-[3,5-bis(3-tert-butyl-6-methylcarbazol-9-yl)phenyl]-3-tert-butyl-6-methylcarbazole
CID 59399788
6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 146666361
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole
CID 59357188

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole (CID 175094962) is 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(-n2ccnc2)c1.
What is the InChIKey of 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole?
The InChIKey is UPELGEXMIMBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3/c1-28(2,3)20-10-12-26-24(16-20)25-17-21(29(4,5)6)11-13-27(25)32(26)23-9-7-8-22(18-23)31-15-14-30-19-31/h7-19H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole?
3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole has a molecular weight of 421.59 g/mol, XLogP of 7.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole is sourced from PubChem (CID 175094962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).