3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole

C37H26IN — CID 90182834

IUPAC3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole
SMILESIc1ccccc1-c1cc(-c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)ccc1Cc1ccccc1
InChIInChI=1S/C37H26IN/c38-35-16-8-6-14-31(35)33-23-27(19-18-26(33)22-25-10-2-1-3-11-25)29-12-4-5-13-30(29)28-20-21-37-34(24-28)32-15-7-9-17-36(32)39-37/h1-21,23-24,39H,22H2
InChIKeyKZOZBAMFDMCWTA-UHFFFAOYSA-N
MW611.53 g/mol
LogP10.52
Rot. Bonds5

About 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole

3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole (PubChem CID 90182834) has the molecular formula C37H26IN and a molecular weight of 611.53 g/mol. Its IUPAC name is 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole.

Molecular Properties

Compound Name3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole
PubChem CID90182834
Molecular FormulaC37H26IN
Molecular Weight611.53 g/mol
Exact Mass611.11
IUPAC Name3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole
SMILESIc1ccccc1-c1cc(-c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)ccc1Cc1ccccc1
InChIInChI=1S/C37H26IN/c38-35-16-8-6-14-31(35)33-23-27(19-18-26(33)22-25-10-2-1-3-11-25)29-12-4-5-13-30(29)28-20-21-37-34(24-28)32-15-7-9-17-36(32)39-37/h1-21,23-24,39H,22H2
InChIKeyKZOZBAMFDMCWTA-UHFFFAOYSA-N
XLogP10.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.53
LogP ≤ 510.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole?
The IUPAC name of 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole (CID 90182834) is 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole.
What is the SMILES notation for 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole?
The canonical SMILES for 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole is Ic1ccccc1-c1cc(-c2ccccc2-c2ccc3[nH]c4ccccc4c3c2)ccc1Cc1ccccc1.
What is the InChIKey of 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole?
The InChIKey is KZOZBAMFDMCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26IN/c38-35-16-8-6-14-31(35)33-23-27(19-18-26(33)22-25-10-2-1-3-11-25)29-12-4-5-13-30(29)28-20-21-37-34(24-28)32-15-7-9-17-36(32)39-37/h1-21,23-24,39H,22H2.
What are the key properties of 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole?
3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole has a molecular weight of 611.53 g/mol, XLogP of 10.52, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-benzyl-3-(2-iodophenyl)phenyl]phenyl]-9H-carbazole is sourced from PubChem (CID 90182834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).