2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene

C30H31I — CID 141284541

IUPAC2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
SMILESCC(C)(C)c1ccc(-c2cc3ccccc3c(I)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H31I/c1-29(2,3)23-15-11-20(12-16-23)26-19-22-9-7-8-10-25(22)28(31)27(26)21-13-17-24(18-14-21)30(4,5)6/h7-19H,1-6H3
InChIKeyLPJBFMBQYTXOJV-UHFFFAOYSA-N
MW518.48 g/mol
LogP9.37
Rot. Bonds2

About 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene

2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene (PubChem CID 141284541) has the molecular formula C30H31I and a molecular weight of 518.48 g/mol. Its IUPAC name is 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene.

Molecular Properties

Compound Name2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
PubChem CID141284541
Molecular FormulaC30H31I
Molecular Weight518.48 g/mol
Exact Mass518.15
IUPAC Name2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene
SMILESCC(C)(C)c1ccc(-c2cc3ccccc3c(I)c2-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H31I/c1-29(2,3)23-15-11-20(12-16-23)26-19-22-9-7-8-10-25(22)28(31)27(26)21-13-17-24(18-14-21)30(4,5)6/h7-19H,1-6H3
InChIKeyLPJBFMBQYTXOJV-UHFFFAOYSA-N
XLogP9.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.48
LogP ≤ 59.37
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

9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
1,2-bis(4-tert-butylphenyl)naphthalene
CID 163894539
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
10,16-bis(4-tert-butylphenyl)-13,13-dimethyl-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 58321082
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464
9-(4-iodophenyl)phenanthrene
CID 89083753
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene?
The IUPAC name of 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene (CID 141284541) is 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene.
What is the SMILES notation for 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene?
The canonical SMILES for 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene is CC(C)(C)c1ccc(-c2cc3ccccc3c(I)c2-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene?
The InChIKey is LPJBFMBQYTXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31I/c1-29(2,3)23-15-11-20(12-16-23)26-19-22-9-7-8-10-25(22)28(31)27(26)21-13-17-24(18-14-21)30(4,5)6/h7-19H,1-6H3.
What are the key properties of 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene?
2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene has a molecular weight of 518.48 g/mol, XLogP of 9.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butylphenyl)-1-iodonaphthalene is sourced from PubChem (CID 141284541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).