2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene

C26H19I — CID 70959813

IUPAC2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
SMILESIc1cc(-c2ccc3c(c2)CCC=C3)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H19I/c27-26-16-24(22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)23-12-10-19-6-2-4-8-21(19)14-23/h1-3,5-7,9-17H,4,8H2
InChIKeyIWBCTZHMSBULJS-UHFFFAOYSA-N
MW458.34 g/mol
LogP7.74
Rot. Bonds2

About 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene

2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene (PubChem CID 70959813) has the molecular formula C26H19I and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene.

Molecular Properties

Compound Name2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
PubChem CID70959813
Molecular FormulaC26H19I
Molecular Weight458.34 g/mol
Exact Mass458.05
IUPAC Name2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
SMILESIc1cc(-c2ccc3c(c2)CCC=C3)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C26H19I/c27-26-16-24(22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)23-12-10-19-6-2-4-8-21(19)14-23/h1-3,5-7,9-17H,4,8H2
InChIKeyIWBCTZHMSBULJS-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
CID 137455213
N-(7,8-dihydronaphthalen-2-yl)naphthalen-2-amine
CID 172758843
7-iodo-1,2-dihydronaphthalene
CID 70927780
18-[4-[6-(7,8-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 123927159
8-(7,8-dihydronaphthalen-2-yl)-16-naphthalen-2-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71058981
2-(4a,8a-dihydronaphthalen-2-yl)-3-(7,8-dihydronaphthalen-2-yl)-6,7-dinaphthalen-2-ylnaphthalene
CID 143742435
1,2-dihydrotetracene
CID 526645
8-[4-[2-(7,8-dihydronaphthalen-2-yl)-6-naphthalen-2-ylpyrimidin-4-yl]phenyl]-3,4,7,8-tetrahydroquinoline
CID 138508730
1,2-dihydronaphthalene
CID 9938
1,2-dihydronaphthalene
CID 161389674
4-(7,8-dihydronaphthalen-2-yl)-6-methyl-9-naphthalen-2-yl-1H-cyclopropa[a]anthracene
CID 149209339
2-[10-(7,8-dihydronaphthalen-2-yl)-2,3-dihydroanthracen-9-yl]-5-[5-(9,10-dinaphthalen-2-ylanthracen-2-yl)thiophen-2-yl]thiophene
CID 89218133

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene?
The IUPAC name of 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene (CID 70959813) is 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene.
What is the SMILES notation for 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene?
The canonical SMILES for 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene is Ic1cc(-c2ccc3c(c2)CCC=C3)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene?
The InChIKey is IWBCTZHMSBULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19I/c27-26-16-24(22-11-9-18-5-1-3-7-20(18)13-22)15-25(17-26)23-12-10-19-6-2-4-8-21(19)14-23/h1-3,5-7,9-17H,4,8H2.
What are the key properties of 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene?
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene has a molecular weight of 458.34 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene is sourced from PubChem (CID 70959813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).