3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole

C28H16Br4N2 — CID 15544107

IUPAC3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CC#CCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C28H16Br4N2/c29-17-3-7-25-21(13-17)22-14-18(30)4-8-26(22)33(25)11-1-2-12-34-27-9-5-19(31)15-23(27)24-16-20(32)6-10-28(24)34/h3-10,13-16H,11-12H2
InChIKeyUOYCZPKGNZHBFI-UHFFFAOYSA-N
MW700.07 g/mol
LogP9.66
Rot. Bonds2

About 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole

3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole (PubChem CID 15544107) has the molecular formula C28H16Br4N2 and a molecular weight of 700.07 g/mol. Its IUPAC name is 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole.

Molecular Properties

Compound Name3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole
PubChem CID15544107
Molecular FormulaC28H16Br4N2
Molecular Weight700.07 g/mol
Exact Mass695.80
IUPAC Name3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole
SMILESBrc1ccc2c(c1)c1cc(Br)ccc1n2CC#CCn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C28H16Br4N2/c29-17-3-7-25-21(13-17)22-14-18(30)4-8-26(22)33(25)11-1-2-12-34-27-9-5-19(31)15-23(27)24-16-20(32)6-10-28(24)34/h3-10,13-16H,11-12H2
InChIKeyUOYCZPKGNZHBFI-UHFFFAOYSA-N
XLogP9.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.07
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole?
The IUPAC name of 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole (CID 15544107) is 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole.
What is the SMILES notation for 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole?
The canonical SMILES for 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole is Brc1ccc2c(c1)c1cc(Br)ccc1n2CC#CCn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole?
The InChIKey is UOYCZPKGNZHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br4N2/c29-17-3-7-25-21(13-17)22-14-18(30)4-8-26(22)33(25)11-1-2-12-34-27-9-5-19(31)15-23(27)24-16-20(32)6-10-28(24)34/h3-10,13-16H,11-12H2.
What are the key properties of 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole?
3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole has a molecular weight of 700.07 g/mol, XLogP of 9.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-9-[4-(3,6-dibromocarbazol-9-yl)but-2-ynyl]carbazole is sourced from PubChem (CID 15544107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).