3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole

C26H26Br2ClN — CID 166581837

IUPAC3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C26H26Br2ClN/c1-25(2,3)15-7-9-22-18(11-15)19-12-16(26(4,5)6)8-10-23(19)30(22)17-13-20(27)24(29)21(28)14-17/h7-14H,1-6H3
InChIKeyXYRDPZFPBKUGNW-UHFFFAOYSA-N
MW547.76 g/mol
LogP9.56
Rot. Bonds1

About 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole

3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole (PubChem CID 166581837) has the molecular formula C26H26Br2ClN and a molecular weight of 547.76 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
PubChem CID166581837
Molecular FormulaC26H26Br2ClN
Molecular Weight547.76 g/mol
Exact Mass545.01
IUPAC Name3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(Br)c(Cl)c(Br)c1
InChIInChI=1S/C26H26Br2ClN/c1-25(2,3)15-7-9-22-18(11-15)19-12-16(26(4,5)6)8-10-23(19)30(22)17-13-20(27)24(29)21(28)14-17/h7-14H,1-6H3
InChIKeyXYRDPZFPBKUGNW-UHFFFAOYSA-N
XLogP9.56
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.76
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
9-(3,5-dibromo-4-chlorophenyl)-3,6-diphenylcarbazole
CID 167358333
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
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
CID 146197640
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
4-(3,6-ditert-butylcarbazol-9-yl)-2,6-dimethylbenzaldehyde
CID 164801065
1,3-dibromo-2-chloro-5-fluorobenzene;9-(3,5-dibromo-4-chlorophenyl)carbazole;molecular hydrogen
CID 159853989
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
4-[3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]benzaldehyde
CID 24808308

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole?
The IUPAC name of 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole (CID 166581837) is 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(Br)c(Cl)c(Br)c1.
What is the InChIKey of 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole?
The InChIKey is XYRDPZFPBKUGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Br2ClN/c1-25(2,3)15-7-9-22-18(11-15)19-12-16(26(4,5)6)8-10-23(19)30(22)17-13-20(27)24(29)21(28)14-17/h7-14H,1-6H3.
What are the key properties of 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole?
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole has a molecular weight of 547.76 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole is sourced from PubChem (CID 166581837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).