4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline

C30H21IN2 — CID 140551953

IUPAC4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline
SMILESIc1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C30H21IN2/c31-28-12-6-4-10-24(28)21-18-26(30-27(19-21)25-11-5-7-13-29(25)33-30)20-14-16-23(17-15-20)32-22-8-2-1-3-9-22/h1-19,32-33H
InChIKeyIQNZJVABVUVERO-UHFFFAOYSA-N
MW536.42 g/mol
LogP9.00
Rot. Bonds4

About 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline

4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline (PubChem CID 140551953) has the molecular formula C30H21IN2 and a molecular weight of 536.42 g/mol. Its IUPAC name is 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline.

Molecular Properties

Compound Name4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline
PubChem CID140551953
Molecular FormulaC30H21IN2
Molecular Weight536.42 g/mol
Exact Mass536.07
IUPAC Name4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline
SMILESIc1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)c2[nH]c3ccccc3c2c1
InChIInChI=1S/C30H21IN2/c31-28-12-6-4-10-24(28)21-18-26(30-27(19-21)25-11-5-7-13-29(25)33-30)20-14-16-23(17-15-20)32-22-8-2-1-3-9-22/h1-19,32-33H
InChIKeyIQNZJVABVUVERO-UHFFFAOYSA-N
XLogP9.00
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.42
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline?
The IUPAC name of 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline (CID 140551953) is 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline.
What is the SMILES notation for 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline?
The canonical SMILES for 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline is Ic1ccccc1-c1cc(-c2ccc(Nc3ccccc3)cc2)c2[nH]c3ccccc3c2c1.
What is the InChIKey of 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline?
The InChIKey is IQNZJVABVUVERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21IN2/c31-28-12-6-4-10-24(28)21-18-26(30-27(19-21)25-11-5-7-13-29(25)33-30)20-14-16-23(17-15-20)32-22-8-2-1-3-9-22/h1-19,32-33H.
What are the key properties of 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline?
4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline has a molecular weight of 536.42 g/mol, XLogP of 9.00, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-iodophenyl)-9H-carbazol-1-yl]-N-phenylaniline is sourced from PubChem (CID 140551953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).