2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine

C46H38N2 — CID 88554717

IUPAC2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine
SMILESC1=C(c2cc(-c3cccnc3)ccn2)CCc2cc(-c3c4ccccc4c(-c4ccc(C5CCCCC5)cc4)c4ccccc34)ccc21
InChIInChI=1S/C46H38N2/c1-2-9-31(10-3-1)32-16-18-33(19-17-32)45-40-12-4-6-14-42(40)46(43-15-7-5-13-41(43)45)38-23-21-34-27-37(22-20-35(34)28-38)44-29-36(24-26-48-44)39-11-8-25-47-30-39/h4-8,11-19,21,23-31H,1-3,9-10,20,22H2
InChIKeyRPOHALHFDKRLST-UHFFFAOYSA-N
MW618.82 g/mol
LogP12.32
Rot. Bonds5

About 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine

2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine (PubChem CID 88554717) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine
PubChem CID88554717
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC Name2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine
SMILESC1=C(c2cc(-c3cccnc3)ccn2)CCc2cc(-c3c4ccccc4c(-c4ccc(C5CCCCC5)cc4)c4ccccc34)ccc21
InChIInChI=1S/C46H38N2/c1-2-9-31(10-3-1)32-16-18-33(19-17-32)45-40-12-4-6-14-42(40)46(43-15-7-5-13-41(43)45)38-23-21-34-27-37(22-20-35(34)28-38)44-29-36(24-26-48-44)39-11-8-25-47-30-39/h4-8,11-19,21,23-31H,1-3,9-10,20,22H2
InChIKeyRPOHALHFDKRLST-UHFFFAOYSA-N
XLogP12.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine?
The IUPAC name of 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine (CID 88554717) is 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine.
What is the SMILES notation for 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine?
The canonical SMILES for 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine is C1=C(c2cc(-c3cccnc3)ccn2)CCc2cc(-c3c4ccccc4c(-c4ccc(C5CCCCC5)cc4)c4ccccc34)ccc21.
What is the InChIKey of 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine?
The InChIKey is RPOHALHFDKRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-2-9-31(10-3-1)32-16-18-33(19-17-32)45-40-12-4-6-14-42(40)46(43-15-7-5-13-41(43)45)38-23-21-34-27-37(22-20-35(34)28-38)44-29-36(24-26-48-44)39-11-8-25-47-30-39/h4-8,11-19,21,23-31H,1-3,9-10,20,22H2.
What are the key properties of 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine?
2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine has a molecular weight of 618.82 g/mol, XLogP of 12.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine is sourced from PubChem (CID 88554717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).