9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole

C32H30Br2N2 — CID 141391758

IUPAC9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
SMILESBrCCCCn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(CCCCBr)c4c3)cc21
InChIInChI=1S/C32H30Br2N2/c33-17-5-7-19-35-29-11-3-1-9-25(29)27-15-13-23(21-31(27)35)24-14-16-28-26-10-2-4-12-30(26)36(32(28)22-24)20-8-6-18-34/h1-4,9-16,21-22H,5-8,17-20H2
InChIKeyRJRFMXCGZKYTDR-UHFFFAOYSA-N
MW602.41 g/mol
LogP9.92
Rot. Bonds9

About 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole

9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole (PubChem CID 141391758) has the molecular formula C32H30Br2N2 and a molecular weight of 602.41 g/mol. Its IUPAC name is 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
PubChem CID141391758
Molecular FormulaC32H30Br2N2
Molecular Weight602.41 g/mol
Exact Mass600.08
IUPAC Name9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole
SMILESBrCCCCn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(CCCCBr)c4c3)cc21
InChIInChI=1S/C32H30Br2N2/c33-17-5-7-19-35-29-11-3-1-9-25(29)27-15-13-23(21-31(27)35)24-14-16-28-26-10-2-4-12-30(26)36(32(28)22-24)20-8-6-18-34/h1-4,9-16,21-22H,5-8,17-20H2
InChIKeyRJRFMXCGZKYTDR-UHFFFAOYSA-N
XLogP9.92
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.41
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole?
The IUPAC name of 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole (CID 141391758) is 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole.
What is the SMILES notation for 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole?
The canonical SMILES for 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole is BrCCCCn1c2ccccc2c2ccc(-c3ccc4c5ccccc5n(CCCCBr)c4c3)cc21.
What is the InChIKey of 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole?
The InChIKey is RJRFMXCGZKYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30Br2N2/c33-17-5-7-19-35-29-11-3-1-9-25(29)27-15-13-23(21-31(27)35)24-14-16-28-26-10-2-4-12-30(26)36(32(28)22-24)20-8-6-18-34/h1-4,9-16,21-22H,5-8,17-20H2.
What are the key properties of 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole?
9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole has a molecular weight of 602.41 g/mol, XLogP of 9.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromobutyl)-2-[9-(4-bromobutyl)carbazol-2-yl]carbazole is sourced from PubChem (CID 141391758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).