3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole

C30H26I2N2 — CID 69197277

IUPAC3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
SMILESIc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(I)ccc21
InChIInChI=1S/C30H26I2N2/c31-21-13-15-29-25(19-21)23-9-3-5-11-27(23)33(29)17-7-1-2-8-18-34-28-12-6-4-10-24(28)26-20-22(32)14-16-30(26)34/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyUARNDKATTYEVES-UHFFFAOYSA-N
MW668.36 g/mol
LogP9.37
Rot. Bonds7

About 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole

3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole (PubChem CID 69197277) has the molecular formula C30H26I2N2 and a molecular weight of 668.36 g/mol. Its IUPAC name is 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole.

Molecular Properties

Compound Name3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
PubChem CID69197277
Molecular FormulaC30H26I2N2
Molecular Weight668.36 g/mol
Exact Mass668.02
IUPAC Name3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole
SMILESIc1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(I)ccc21
InChIInChI=1S/C30H26I2N2/c31-21-13-15-29-25(19-21)23-9-3-5-11-27(23)33(29)17-7-1-2-8-18-34-28-12-6-4-10-24(28)26-20-22(32)14-16-30(26)34/h3-6,9-16,19-20H,1-2,7-8,17-18H2
InChIKeyUARNDKATTYEVES-UHFFFAOYSA-N
XLogP9.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.36
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole?
The IUPAC name of 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole (CID 69197277) is 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole.
What is the SMILES notation for 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole?
The canonical SMILES for 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole is Ic1ccc2c(c1)c1ccccc1n2CCCCCCn1c2ccccc2c2cc(I)ccc21.
What is the InChIKey of 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole?
The InChIKey is UARNDKATTYEVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26I2N2/c31-21-13-15-29-25(19-21)23-9-3-5-11-27(23)33(29)17-7-1-2-8-18-34-28-12-6-4-10-24(28)26-20-22(32)14-16-30(26)34/h3-6,9-16,19-20H,1-2,7-8,17-18H2.
What are the key properties of 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole?
3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole has a molecular weight of 668.36 g/mol, XLogP of 9.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-9-[6-(3-iodocarbazol-9-yl)hexyl]carbazole is sourced from PubChem (CID 69197277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).