4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline

C28H28N6 — CID 172994583

IUPAC4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc2ccccc2n2nnnc12
InChIInChI=1S/C28H28N6/c1-27(2,3)17-11-13-22-19(15-17)20-16-18(28(4,5)6)12-14-23(20)33(22)25-26-30-31-32-34(26)24-10-8-7-9-21(24)29-25/h7-16H,1-6H3
InChIKeyRVHRLVUUHBUKPE-UHFFFAOYSA-N
MW448.57 g/mol
LogP6.36
Rot. Bonds1

About 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline

4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline (PubChem CID 172994583) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline
PubChem CID172994583
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc2ccccc2n2nnnc12
InChIInChI=1S/C28H28N6/c1-27(2,3)17-11-13-22-19(15-17)20-16-18(28(4,5)6)12-14-23(20)33(22)25-26-30-31-32-34(26)24-10-8-7-9-21(24)29-25/h7-16H,1-6H3
InChIKeyRVHRLVUUHBUKPE-UHFFFAOYSA-N
XLogP6.36
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]tetrazolo[1,5-a]quinoxaline
CID 172994580
3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
CID 140917926
4-(tetrazolo[1,5-a]quinoxalin-4-yl)morpholine
CID 5309141
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
9-[4-[2-[3-[1-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]benzimidazol-2-yl]phenyl]benzimidazol-1-yl]phenyl]-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 153452165
4-(4-benzylpiperidin-1-yl)tetrazolo[1,5-a]quinoxaline
CID 3241422
4-[(E)-2-(4-methoxyphenyl)ethenyl]tetrazolo[1,5-a]quinoxaline
CID 42598956
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
9-[2-bromo-3-[2-(2,6-dimethylphenyl)benzimidazol-1-yl]phenyl]-3,6-ditert-butylcarbazole
CID 155244081
3-tert-butyl-9-[4-(3-tert-butylphenyl)-6-carbazol-9-yl-1,3,5-triazin-2-yl]carbazole
CID 170669493
2-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenol
CID 135458511

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline (CID 172994583) is 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1nc2ccccc2n2nnnc12.
What is the InChIKey of 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is RVHRLVUUHBUKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-27(2,3)17-11-13-22-19(15-17)20-16-18(28(4,5)6)12-14-23(20)33(22)25-26-30-31-32-34(26)24-10-8-7-9-21(24)29-25/h7-16H,1-6H3.
What are the key properties of 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline?
4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 448.57 g/mol, XLogP of 6.36, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 172994583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).