3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole

C42H25I2N3 — CID 163545448

IUPAC3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
SMILESIc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(I)ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C42H25I2N3/c43-26-14-18-39-33(22-26)31-10-4-6-12-37(31)46(39)29-16-20-41-35(24-29)36-25-30(17-21-42(36)45(41)28-8-2-1-3-9-28)47-38-13-7-5-11-32(38)34-23-27(44)15-19-40(34)47/h1-25H
InChIKeyFERAGWHCKFEIHA-UHFFFAOYSA-N
MW825.49 g/mol
LogP12.19
Rot. Bonds3

About 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole

3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole (PubChem CID 163545448) has the molecular formula C42H25I2N3 and a molecular weight of 825.49 g/mol. Its IUPAC name is 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
PubChem CID163545448
Molecular FormulaC42H25I2N3
Molecular Weight825.49 g/mol
Exact Mass825.01
IUPAC Name3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole
SMILESIc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(I)ccc43)ccc1n2-c1ccccc1
InChIInChI=1S/C42H25I2N3/c43-26-14-18-39-33(22-26)31-10-4-6-12-37(31)46(39)29-16-20-41-35(24-29)36-25-30(17-21-42(36)45(41)28-8-2-1-3-9-28)47-38-13-7-5-11-32(38)34-23-27(44)15-19-40(34)47/h1-25H
InChIKeyFERAGWHCKFEIHA-UHFFFAOYSA-N
XLogP12.19
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.49
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-9-phenylcarbazole
CID 11810740
3-iodo-9-(4-iodophenyl)carbazole
CID 139783630
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-[3-carbazol-9-yl-5-[3,5-di(carbazol-9-yl)phenyl]phenyl]carbazole;3-carbazol-9-yl-9-phenylcarbazole
CID 163609508
3-iodo-6-methyl-9-phenylcarbazole
CID 121336182
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
9-(4-iodophenyl)-3-phenylcarbazole
CID 167227803

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole?
The IUPAC name of 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole (CID 163545448) is 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole.
What is the SMILES notation for 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole?
The canonical SMILES for 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole is Ic1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4cc(I)ccc43)ccc1n2-c1ccccc1.
What is the InChIKey of 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole?
The InChIKey is FERAGWHCKFEIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25I2N3/c43-26-14-18-39-33(22-26)31-10-4-6-12-37(31)46(39)29-16-20-41-35(24-29)36-25-30(17-21-42(36)45(41)28-8-2-1-3-9-28)47-38-13-7-5-11-32(38)34-23-27(44)15-19-40(34)47/h1-25H.
What are the key properties of 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole?
3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole has a molecular weight of 825.49 g/mol, XLogP of 12.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3-iodocarbazol-9-yl)-9-phenylcarbazole is sourced from PubChem (CID 163545448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).