9-(4-bromophenyl)-3,6-ditert-butylcarbazole

C52H56Br2N2 — CID 139082644

IUPAC9-(4-bromophenyl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1
InChIInChI=1S/2C26H28BrN/c2*1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h2*7-16H,1-6H3
InChIKeyQPERTCZRSDXRNF-UHFFFAOYSA-N
MW868.84 g/mol
LogP16.28
Rot. Bonds2

About 9-(4-bromophenyl)-3,6-ditert-butylcarbazole

9-(4-bromophenyl)-3,6-ditert-butylcarbazole (PubChem CID 139082644) has the molecular formula C52H56Br2N2 and a molecular weight of 868.84 g/mol. Its IUPAC name is 9-(4-bromophenyl)-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-(4-bromophenyl)-3,6-ditert-butylcarbazole
PubChem CID139082644
Molecular FormulaC52H56Br2N2
Molecular Weight868.84 g/mol
Exact Mass866.28
IUPAC Name9-(4-bromophenyl)-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1
InChIInChI=1S/2C26H28BrN/c2*1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h2*7-16H,1-6H3
InChIKeyQPERTCZRSDXRNF-UHFFFAOYSA-N
XLogP16.28
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.84
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661
3-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
CID 146209381
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
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-(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
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
2,7-ditert-butyl-9-[7-tert-butyl-9-[4-[2-[4-[2-tert-butyl-6-(2,7-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]propan-2-yl]phenyl]carbazol-3-yl]carbazole
CID 176617143
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
CID 146197640

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-3,6-ditert-butylcarbazole?
The IUPAC name of 9-(4-bromophenyl)-3,6-ditert-butylcarbazole (CID 139082644) is 9-(4-bromophenyl)-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-(4-bromophenyl)-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-(4-bromophenyl)-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1.CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(Br)cc1.
What is the InChIKey of 9-(4-bromophenyl)-3,6-ditert-butylcarbazole?
The InChIKey is QPERTCZRSDXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28BrN/c2*1-25(2,3)17-7-13-23-21(15-17)22-16-18(26(4,5)6)8-14-24(22)28(23)20-11-9-19(27)10-12-20/h2*7-16H,1-6H3.
What are the key properties of 9-(4-bromophenyl)-3,6-ditert-butylcarbazole?
9-(4-bromophenyl)-3,6-ditert-butylcarbazole has a molecular weight of 868.84 g/mol, XLogP of 16.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-3,6-ditert-butylcarbazole is sourced from PubChem (CID 139082644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).