2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene

C45H34I3OP — CID 161212545

IUPAC2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
SMILESC1=C(c2ccccc2-c2ccccc2C2=Cc3ccccc3C2)Cc2ccccc21.Ic1ccccc1C1=Cc2ccccc2C1.O=IPI
InChIInChI=1S/C30H22.C15H11I.HI2OP/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26;16-15-8-4-3-7-14(15)13-9-11-5-1-2-6-12(11)10-13;1-4-2-3/h1-17,19H,18,20H2;1-9H,10H2;4H
InChIKeyUWKVPEUAJPXPFD-UHFFFAOYSA-N
MW1002.45 g/mol
LogP14.18
Rot. Bonds5

About 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene

2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene (PubChem CID 161212545) has the molecular formula C45H34I3OP and a molecular weight of 1002.45 g/mol. Its IUPAC name is 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene.

Molecular Properties

Compound Name2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
PubChem CID161212545
Molecular FormulaC45H34I3OP
Molecular Weight1002.45 g/mol
Exact Mass1001.95
IUPAC Name2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
SMILESC1=C(c2ccccc2-c2ccccc2C2=Cc3ccccc3C2)Cc2ccccc21.Ic1ccccc1C1=Cc2ccccc2C1.O=IPI
InChIInChI=1S/C30H22.C15H11I.HI2OP/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26;16-15-8-4-3-7-14(15)13-9-11-5-1-2-6-12(11)10-13;1-4-2-3/h1-17,19H,18,20H2;1-9H,10H2;4H
InChIKeyUWKVPEUAJPXPFD-UHFFFAOYSA-N
XLogP14.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.45
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
CID 175687108
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
CID 173161752
1-ethyl-4-(1H-inden-2-yl)naphthalene
CID 22347915
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene;hafnium;dichloride
CID 173244135
3-(1H-inden-2-yl)-1H-inden-2-ol
CID 20693143
2-[4-(trifluoromethyl)phenyl]-1H-indene;zirconium
CID 174374188
4H-benzo[f][1]benzofuran-2-one
CID 140992755
2-(1H-inden-2-yl)furan;zirconium
CID 174544021
2-(8,9-dihydro-7H-benzo[7]annulen-6-yl)phenol
CID 155222081
2,5-diphenyl-1H-indene;zirconium(2+);dichloride
CID 175286821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene?
The IUPAC name of 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene (CID 161212545) is 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene.
What is the SMILES notation for 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene?
The canonical SMILES for 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene is C1=C(c2ccccc2-c2ccccc2C2=Cc3ccccc3C2)Cc2ccccc21.Ic1ccccc1C1=Cc2ccccc2C1.O=IPI.
What is the InChIKey of 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene?
The InChIKey is UWKVPEUAJPXPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22.C15H11I.HI2OP/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26;16-15-8-4-3-7-14(15)13-9-11-5-1-2-6-12(11)10-13;1-4-2-3/h1-17,19H,18,20H2;1-9H,10H2;4H.
What are the key properties of 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene?
2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene has a molecular weight of 1002.45 g/mol, XLogP of 14.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene is sourced from PubChem (CID 161212545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).