1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene

C40H29I — CID 135233882

IUPAC1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(Cc3ccc4cc(-c5cc(I)c6ccccc6c5)ccc4c3)c2)c1
InChIInChI=1S/C40H29I/c1-27-18-36(30-9-3-2-4-10-30)25-37(19-27)31-12-7-8-28(21-31)20-29-14-15-33-23-34(17-16-32(33)22-29)38-24-35-11-5-6-13-39(35)40(41)26-38/h2-19,21-26H,20H2,1H3
InChIKeyKGZYTPASTTWABL-UHFFFAOYSA-N
MW636.58 g/mol
LogP11.50
Rot. Bonds5

About 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene

1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene (PubChem CID 135233882) has the molecular formula C40H29I and a molecular weight of 636.58 g/mol. Its IUPAC name is 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene.

Molecular Properties

Compound Name1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene
PubChem CID135233882
Molecular FormulaC40H29I
Molecular Weight636.58 g/mol
Exact Mass636.13
IUPAC Name1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(Cc3ccc4cc(-c5cc(I)c6ccccc6c5)ccc4c3)c2)c1
InChIInChI=1S/C40H29I/c1-27-18-36(30-9-3-2-4-10-30)25-37(19-27)31-12-7-8-28(21-31)20-29-14-15-33-23-34(17-16-32(33)22-29)38-24-35-11-5-6-13-39(35)40(41)26-38/h2-19,21-26H,20H2,1H3
InChIKeyKGZYTPASTTWABL-UHFFFAOYSA-N
XLogP11.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.58
LogP ≤ 511.50
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

1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
CID 145321706
2-[(4-tert-butylphenyl)methyl]phenanthrene;1-[4-[(3,5-diphenylphenyl)methyl]phenyl]naphthalene;1,3-diphenyl-5-[(4-phenylphenyl)methyl]benzene;1-[4-(naphthalen-2-ylmethyl)phenyl]naphthalene;1-[3-[(3-naphthalen-1-ylphenyl)methyl]phenyl]naphthalene;1-[4-[(3-phenylphenyl)methyl]phenyl]naphthalene
CID 160912130
bis(2-methylnaphthalene);2-methyl-6-phenylnaphthalene;6-methyl-1-phenylnaphthalene;1-(3-methyl-5-phenylphenyl)naphthalene;2-(3-methyl-5-phenylphenyl)naphthalene
CID 159938437
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
9-[3-methyl-5-(3-methyl-5-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-naphthalen-2-ylphenyl)phenyl]phenanthrene;9-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthrene;3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[3-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene;9-[4-(4-phenanthren-9-ylphenyl)phenyl]phenanthrene
CID 158279425
benzylbenzene;1-benzyl-3-phenylbenzene;2-(naphthalen-2-ylmethyl)naphthalene;N-naphthalen-1-ylnaphthalen-1-amine;N-phenylnaphthalen-1-amine;2-[(4-phenylphenyl)methyl]naphthalene;1-phenyl-3-[(3-phenylphenyl)methyl]benzene
CID 161127822
10-[3-[3-[(4-phenylphenyl)methyl]phenyl]phenyl]naphtho[1,2-b][1]benzofuran;toluene
CID 142294282
2-[3-(3,5-dimethylphenyl)-5-phenanthren-2-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122416099
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
1,4-bis(3-benzylphenyl)benzene
CID 175442136
1,4-bis(4-methylphenyl)benzene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 158604193
7-(3,5-dinaphthalen-2-ylphenyl)benzo[a]anthracene;7-(3-naphthalen-2-ylphenyl)benzo[a]anthracene;7-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]benzo[a]anthracene;7-(3-naphthalen-2-yl-5-phenylphenyl)benzo[a]anthracene
CID 158288300

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene?
The IUPAC name of 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene (CID 135233882) is 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene.
What is the SMILES notation for 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene?
The canonical SMILES for 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene is Cc1cc(-c2ccccc2)cc(-c2cccc(Cc3ccc4cc(-c5cc(I)c6ccccc6c5)ccc4c3)c2)c1.
What is the InChIKey of 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene?
The InChIKey is KGZYTPASTTWABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29I/c1-27-18-36(30-9-3-2-4-10-30)25-37(19-27)31-12-7-8-28(21-31)20-29-14-15-33-23-34(17-16-32(33)22-29)38-24-35-11-5-6-13-39(35)40(41)26-38/h2-19,21-26H,20H2,1H3.
What are the key properties of 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene?
1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene has a molecular weight of 636.58 g/mol, XLogP of 11.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-[6-[[3-(3-methyl-5-phenylphenyl)phenyl]methyl]naphthalen-2-yl]naphthalene is sourced from PubChem (CID 135233882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).