3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine

C45H37N — CID 88554726

IUPAC3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(c3cccc(-c5cccnc5)c3)=C4)c3ccccc23)cc1
InChIInChI=1S/C45H37N/c1-45(2,3)38-23-21-30(22-24-38)43-39-13-4-6-15-41(39)44(42-16-7-5-14-40(42)43)36-20-19-34-27-33(17-18-35(34)28-36)31-10-8-11-32(26-31)37-12-9-25-46-29-37/h4-16,19-29H,17-18H2,1-3H3
InChIKeyRTZQVKQYSWYVDP-UHFFFAOYSA-N
MW591.80 g/mol
LogP12.17
Rot. Bonds4

About 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine

3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine (PubChem CID 88554726) has the molecular formula C45H37N and a molecular weight of 591.80 g/mol. Its IUPAC name is 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
PubChem CID88554726
Molecular FormulaC45H37N
Molecular Weight591.80 g/mol
Exact Mass591.29
IUPAC Name3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(c3cccc(-c5cccnc5)c3)=C4)c3ccccc23)cc1
InChIInChI=1S/C45H37N/c1-45(2,3)38-23-21-30(22-24-38)43-39-13-4-6-15-41(39)44(42-16-7-5-14-40(42)43)36-20-19-34-27-33(17-18-35(34)28-36)31-10-8-11-32(26-31)37-12-9-25-46-29-37/h4-16,19-29H,17-18H2,1-3H3
InChIKeyRTZQVKQYSWYVDP-UHFFFAOYSA-N
XLogP12.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.80
LogP ≤ 512.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[6-[10-(3-ethylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine
CID 88554441
2-[6-[10-(4-cyclohexylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]-4-pyridin-3-ylpyridine
CID 88554717
3-[3-[10-(6-methyl-7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]-5-pyridin-2-ylpyridine
CID 88554410
9-(4-tert-butylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 58590190
3-[6-[10-(3-methylphenyl)anthracen-9-yl]naphthalen-2-yl]-5-pyridin-3-ylpyridine
CID 88554456
3-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]pyridine
CID 90764339
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyridine
CID 58592230
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 134194394
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
3-[4-[3-[10-(7,8-dihydronaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]-5-methylpyridine
CID 88554453

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?
The IUPAC name of 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine (CID 88554726) is 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?
The canonical SMILES for 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)CCC(c3cccc(-c5cccnc5)c3)=C4)c3ccccc23)cc1.
What is the InChIKey of 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?
The InChIKey is RTZQVKQYSWYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N/c1-45(2,3)38-23-21-30(22-24-38)43-39-13-4-6-15-41(39)44(42-16-7-5-14-40(42)43)36-20-19-34-27-33(17-18-35(34)28-36)31-10-8-11-32(26-31)37-12-9-25-46-29-37/h4-16,19-29H,17-18H2,1-3H3.
What are the key properties of 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine?
3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine has a molecular weight of 591.80 g/mol, XLogP of 12.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]-3,4-dihydronaphthalen-2-yl]phenyl]pyridine is sourced from PubChem (CID 88554726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).