3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine

C42H35N3 — CID 135249636

IUPAC3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
SMILESCC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C
InChIInChI=1S/C42H35N3/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30/h5-27H,1-4H3
InChIKeyLCKQNGHNFZTCKU-UHFFFAOYSA-N
MW581.76 g/mol
LogP10.70
Rot. Bonds4

About 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine

3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine (PubChem CID 135249636) has the molecular formula C42H35N3 and a molecular weight of 581.76 g/mol. Its IUPAC name is 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine.

Molecular Properties

Compound Name3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
PubChem CID135249636
Molecular FormulaC42H35N3
Molecular Weight581.76 g/mol
Exact Mass581.28
IUPAC Name3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
SMILESCC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C
InChIInChI=1S/C42H35N3/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30/h5-27H,1-4H3
InChIKeyLCKQNGHNFZTCKU-UHFFFAOYSA-N
XLogP10.70
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-4,4,5,5-tetramethyl-1-phenylimidazole;(9,10-dinaphthalen-2-ylanthracen-2-yl)boronic acid;2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
CID 158287814
2-[4-[2,3-diphenyl-4-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,4,5,5-tetramethyl-1-phenylimidazole
CID 135250383
4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole
CID 135250550
9-naphthalen-2-yl-7-phenyl-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]benzo[c]carbazole
CID 135249802
9-[4-[5-(10-naphthalen-2-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
CID 59372038
2-(3-phenylphenyl)-4,6-bis[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]pyrimidine
CID 135250598
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine?
The IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine (CID 135249636) is 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine.
What is the SMILES notation for 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine?
The canonical SMILES for 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine is CC1(C)N=C(c2cncc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)N(c2ccccc2)C1(C)C.
What is the InChIKey of 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine?
The InChIKey is LCKQNGHNFZTCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35N3/c1-41(2)42(3,4)45(33-16-6-5-7-17-33)40(44-41)32-25-31(26-43-27-32)39-36-20-12-10-18-34(36)38(35-19-11-13-21-37(35)39)30-23-22-28-14-8-9-15-29(28)24-30/h5-27H,1-4H3.
What are the key properties of 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine?
3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine has a molecular weight of 581.76 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-ylanthracen-9-yl)-5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine is sourced from PubChem (CID 135249636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).