2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline

C55H37N — CID 144815588

IUPAC2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
SMILESC1=C(c2ccccc2)C(c2cc(-c3cc(-c4cccc5ccccc45)c4ccccc4n3)cc(C3C(c4ccccc4)=Cc4ccccc43)c2)c2ccccc21
InChIInChI=1S/C55H37N/c1-3-16-37(17-4-1)49-33-39-21-8-11-25-45(39)54(49)42-30-41(31-43(32-42)55-46-26-12-9-22-40(46)34-50(55)38-18-5-2-6-19-38)53-35-51(48-27-13-14-29-52(48)56-53)47-28-15-23-36-20-7-10-24-44(36)47/h1-35,54-55H
InChIKeyVEFGJLNKYYEVCR-UHFFFAOYSA-N
MW711.91 g/mol
LogP14.09
Rot. Bonds6

About 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline

2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline (PubChem CID 144815588) has the molecular formula C55H37N and a molecular weight of 711.91 g/mol. Its IUPAC name is 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline.

Molecular Properties

Compound Name2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
PubChem CID144815588
Molecular FormulaC55H37N
Molecular Weight711.91 g/mol
Exact Mass711.29
IUPAC Name2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
SMILESC1=C(c2ccccc2)C(c2cc(-c3cc(-c4cccc5ccccc45)c4ccccc4n3)cc(C3C(c4ccccc4)=Cc4ccccc43)c2)c2ccccc21
InChIInChI=1S/C55H37N/c1-3-16-37(17-4-1)49-33-39-21-8-11-25-45(39)54(49)42-30-41(31-43(32-42)55-46-26-12-9-22-40(46)34-50(55)38-18-5-2-6-19-38)53-35-51(48-27-13-14-29-52(48)56-53)47-28-15-23-36-20-7-10-24-44(36)47/h1-35,54-55H
InChIKeyVEFGJLNKYYEVCR-UHFFFAOYSA-N
XLogP14.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.91
LogP ≤ 514.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]methanol
CID 23016258
diphenyl-[1-(2-phenyl-1H-inden-1-yl)naphthalen-2-yl]phosphane
CID 139996216
1-[2-(2-phenyl-1H-inden-1-yl)naphthalen-1-yl]ethanone
CID 139946466
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
bis([2-(2-phenyl-1H-inden-1-yl)phenyl]methanol);titanium;dichloride
CID 23015547
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline?
The IUPAC name of 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline (CID 144815588) is 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline.
What is the SMILES notation for 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline?
The canonical SMILES for 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline is C1=C(c2ccccc2)C(c2cc(-c3cc(-c4cccc5ccccc45)c4ccccc4n3)cc(C3C(c4ccccc4)=Cc4ccccc43)c2)c2ccccc21.
What is the InChIKey of 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline?
The InChIKey is VEFGJLNKYYEVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N/c1-3-16-37(17-4-1)49-33-39-21-8-11-25-45(39)54(49)42-30-41(31-43(32-42)55-46-26-12-9-22-40(46)34-50(55)38-18-5-2-6-19-38)53-35-51(48-27-13-14-29-52(48)56-53)47-28-15-23-36-20-7-10-24-44(36)47/h1-35,54-55H.
What are the key properties of 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline?
2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline has a molecular weight of 711.91 g/mol, XLogP of 14.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline is sourced from PubChem (CID 144815588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).