1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene

C38H28 — CID 58568788

IUPAC1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene
SMILESC1=C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C38H28/c1-2-10-31(11-3-1)38(37-16-8-14-30-9-6-7-15-36(30)37)32-23-21-28(22-24-32)27-17-19-29(20-18-27)35-25-33-12-4-5-13-34(33)26-35/h1-25,38H,26H2
InChIKeyVYNWYOKPWHWQJQ-UHFFFAOYSA-N
MW484.64 g/mol
LogP9.78
Rot. Bonds5

About 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene

1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene (PubChem CID 58568788) has the molecular formula C38H28 and a molecular weight of 484.64 g/mol. Its IUPAC name is 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene.

Molecular Properties

Compound Name1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene
PubChem CID58568788
Molecular FormulaC38H28
Molecular Weight484.64 g/mol
Exact Mass484.22
IUPAC Name1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene
SMILESC1=C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C38H28/c1-2-10-31(11-3-1)38(37-16-8-14-30-9-6-7-15-36(30)37)32-23-21-28(22-24-32)27-17-19-29(20-18-27)35-25-33-12-4-5-13-34(33)26-35/h1-25,38H,26H2
InChIKeyVYNWYOKPWHWQJQ-UHFFFAOYSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene?
The IUPAC name of 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene (CID 58568788) is 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene.
What is the SMILES notation for 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene?
The canonical SMILES for 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene is C1=C(c2ccc(-c3ccc(C(c4ccccc4)c4cccc5ccccc45)cc3)cc2)Cc2ccccc21.
What is the InChIKey of 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene?
The InChIKey is VYNWYOKPWHWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28/c1-2-10-31(11-3-1)38(37-16-8-14-30-9-6-7-15-36(30)37)32-23-21-28(22-24-32)27-17-19-29(20-18-27)35-25-33-12-4-5-13-34(33)26-35/h1-25,38H,26H2.
What are the key properties of 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene?
1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene has a molecular weight of 484.64 g/mol, XLogP of 9.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(1H-inden-2-yl)phenyl]phenyl]-phenylmethyl]naphthalene is sourced from PubChem (CID 58568788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).