(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone

C27H20INO — CID 141383636

IUPAC(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(I)cc(-c3ccccc3)c21
InChIInChI=1S/C27H20INO/c1-2-29-25-14-13-20(27(30)19-11-7-4-8-12-19)15-23(25)24-17-21(28)16-22(26(24)29)18-9-5-3-6-10-18/h3-17H,2H2,1H3
InChIKeySHVSBJLMKQDXPP-UHFFFAOYSA-N
MW501.37 g/mol
LogP7.32
Rot. Bonds4

About (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone

(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone (PubChem CID 141383636) has the molecular formula C27H20INO and a molecular weight of 501.37 g/mol. Its IUPAC name is (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
PubChem CID141383636
Molecular FormulaC27H20INO
Molecular Weight501.37 g/mol
Exact Mass501.06
IUPAC Name(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone
SMILESCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(I)cc(-c3ccccc3)c21
InChIInChI=1S/C27H20INO/c1-2-29-25-14-13-20(27(30)19-11-7-4-8-12-19)15-23(25)24-17-21(28)16-22(26(24)29)18-9-5-3-6-10-18/h3-17H,2H2,1H3
InChIKeySHVSBJLMKQDXPP-UHFFFAOYSA-N
XLogP7.32
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.37
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone?
The IUPAC name of (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone (CID 141383636) is (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone.
What is the SMILES notation for (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone?
The canonical SMILES for (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone is CCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(I)cc(-c3ccccc3)c21.
What is the InChIKey of (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone?
The InChIKey is SHVSBJLMKQDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20INO/c1-2-29-25-14-13-20(27(30)19-11-7-4-8-12-19)15-23(25)24-17-21(28)16-22(26(24)29)18-9-5-3-6-10-18/h3-17H,2H2,1H3.
What are the key properties of (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone?
(9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone has a molecular weight of 501.37 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethyl-6-iodo-8-phenylcarbazol-3-yl)-phenylmethanone is sourced from PubChem (CID 141383636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).