9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

C57H57BrN4 — CID 146209381

IUPAC9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(Br)cn1
InChIInChI=1S/C57H57BrN4/c1-54(2,3)34-13-20-47-41(27-34)42-28-35(55(4,5)6)14-21-48(42)60(47)39-18-24-51-45(31-39)46-32-40(19-25-52(46)62(51)53-26-17-38(58)33-59-53)61-49-22-15-36(56(7,8)9)29-43(49)44-30-37(57(10,11)12)16-23-50(44)61/h13-33H,1-12H3
InChIKeyPJMWDODUQHYUOK-UHFFFAOYSA-N
MW878.01 g/mol
LogP16.33
Rot. Bonds3

About 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole

9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (PubChem CID 146209381) has the molecular formula C57H57BrN4 and a molecular weight of 878.01 g/mol. Its IUPAC name is 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
PubChem CID146209381
Molecular FormulaC57H57BrN4
Molecular Weight878.01 g/mol
Exact Mass876.38
IUPAC Name9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(Br)cn1
InChIInChI=1S/C57H57BrN4/c1-54(2,3)34-13-20-47-41(27-34)42-28-35(55(4,5)6)14-21-48(42)60(47)39-18-24-51-45(31-39)46-32-40(19-25-52(46)62(51)53-26-17-38(58)33-59-53)61-49-22-15-36(56(7,8)9)29-43(49)44-30-37(57(10,11)12)16-23-50(44)61/h13-33H,1-12H3
InChIKeyPJMWDODUQHYUOK-UHFFFAOYSA-N
XLogP16.33
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.01
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-ditert-butyl-9-[9-[5-[3-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-2-pyridinyl]carbazol-3-yl]carbazole
CID 163857203
9-(4-bromophenyl)-3,6-ditert-butylcarbazole
CID 139082644
9-(6-bromonaphthalen-2-yl)-3,6-ditert-butylcarbazole
CID 138478846
9-[5-[3,6-bis(ethenyl)carbazol-9-yl]-2-pyridinyl]-3,6-ditert-butylcarbazole
CID 121245563
9-(5-bromopyrimidin-2-yl)-3,6-ditert-butylcarbazole
CID 146197640
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-bromo-9-(4-tert-butylphenyl)-6-methylcarbazole
CID 91019320
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
3,6-ditert-butyl-9-(3,5-dibromo-4-chlorophenyl)carbazole
CID 166581837
9-(4-bromophenyl)-2-tert-butylcarbazole
CID 142745661

Frequently Asked Questions

What is the IUPAC name of 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The IUPAC name of 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole (CID 146209381) is 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole.
What is the SMILES notation for 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The canonical SMILES for 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)c1cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)ccc1n2-c1ccc(Br)cn1.
What is the InChIKey of 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
The InChIKey is PJMWDODUQHYUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H57BrN4/c1-54(2,3)34-13-20-47-41(27-34)42-28-35(55(4,5)6)14-21-48(42)60(47)39-18-24-51-45(31-39)46-32-40(19-25-52(46)62(51)53-26-17-38(58)33-59-53)61-49-22-15-36(56(7,8)9)29-43(49)44-30-37(57(10,11)12)16-23-50(44)61/h13-33H,1-12H3.
What are the key properties of 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole?
9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole has a molecular weight of 878.01 g/mol, XLogP of 16.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-bromo-2-pyridinyl)-3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazole is sourced from PubChem (CID 146209381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).