3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole

C29H18IN3 — CID 135198280

IUPAC3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESIn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)ccc21
InChIInChI=1S/C29H18IN3/c30-33-27-10-4-2-8-22(27)24-18-20(13-15-28(24)33)19-12-14-26-23(17-19)21-7-1-3-9-25(21)32(26)29-11-5-6-16-31-29/h1-18H
InChIKeyVLVUBFVUIXMPKS-UHFFFAOYSA-N
MW535.39 g/mol
LogP8.15
Rot. Bonds2

About 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole

3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole (PubChem CID 135198280) has the molecular formula C29H18IN3 and a molecular weight of 535.39 g/mol. Its IUPAC name is 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
PubChem CID135198280
Molecular FormulaC29H18IN3
Molecular Weight535.39 g/mol
Exact Mass535.05
IUPAC Name3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
SMILESIn1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)ccc21
InChIInChI=1S/C29H18IN3/c30-33-27-10-4-2-8-22(27)24-18-20(13-15-28(24)33)19-12-14-26-23(17-19)21-7-1-3-9-25(21)32(26)29-11-5-6-16-31-29/h1-18H
InChIKeyVLVUBFVUIXMPKS-UHFFFAOYSA-N
XLogP8.15
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.39
LogP ≤ 58.15
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-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905618
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 135194976
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
6-dibenzofuran-2-yl-2-naphthalen-2-yl-9-pyridin-2-ylcarbazole
CID 163837269
9-(6-methyl-2-pyridinyl)-3-phenylcarbazole
CID 144734478
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
9-pyridin-2-yl-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156577225
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781

Frequently Asked Questions

What is the IUPAC name of 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The IUPAC name of 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole (CID 135198280) is 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole is In1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccn3)ccc21.
What is the InChIKey of 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole?
The InChIKey is VLVUBFVUIXMPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18IN3/c30-33-27-10-4-2-8-22(27)24-18-20(13-15-28(24)33)19-12-14-26-23(17-19)21-7-1-3-9-25(21)32(26)29-11-5-6-16-31-29/h1-18H.
What are the key properties of 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole?
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole has a molecular weight of 535.39 g/mol, XLogP of 8.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 135198280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).