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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Related Compounds

3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
CID 88554726
3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
CID 88554441
3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine
CID 88554410
4-(3-cyclohexylphenyl)-2-phenylpyridine
CID 129074802
2-(4-benzo[a]anthracen-7-ylphenyl)-4-[3-[4-[3-[2-(4-benzo[a]anthracen-7-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-2-pyridinyl]phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130271306
CID 174005748
CID 174005748
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
4-phenyl-2-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130461803
2-[2,6-diphenyl-10-(4-phenyl-2-pyridinyl)anthracen-9-yl]-4-phenylpyridine;2-[2,6-diphenyl-10-(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine;5-[2,6-diphenyl-10-(6-phenyl-3-pyridinyl)anthracen-9-yl]-2-phenylpyridine;5-phenyl-2-[10-(5-phenyl-2-pyridinyl)-2,6-dipyridin-3-ylanthracen-9-yl]pyridine
CID 160833026
3-[4-[2-cyclohexyl-10-[4-(4-methyl-3-pyridinyl)phenyl]anthracen-9-yl]phenyl]-4-methylpyridine
CID 122642474
2-(9,10-diphenylanthracen-2-yl)-4-phenylpyridine
CID 59722107
2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854

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).