2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine

C43H30N2 — CID 118438397

IUPAC2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CC2NC(c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)=C(c3ccccc3)N2C=C1
InChIInChI=1S/C43H30N2/c1-2-14-32(15-3-1)43-42(44-39-23-10-11-28-45(39)43)31-26-24-30(25-27-31)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-16-29-13-4-5-17-33(29)34/h1-28,39,44H
InChIKeyUUWFFENCJWSHAB-UHFFFAOYSA-N
MW574.73 g/mol
LogP10.62
Rot. Bonds4

About 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 118438397) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID118438397
Molecular FormulaC43H30N2
Molecular Weight574.73 g/mol
Exact Mass574.24
IUPAC Name2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CC2NC(c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)=C(c3ccccc3)N2C=C1
InChIInChI=1S/C43H30N2/c1-2-14-32(15-3-1)43-42(44-39-23-10-11-28-45(39)43)31-26-24-30(25-27-31)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-16-29-13-4-5-17-33(29)34/h1-28,39,44H
InChIKeyUUWFFENCJWSHAB-UHFFFAOYSA-N
XLogP10.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.73
LogP ≤ 510.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-6-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine;2-[4-[10-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]anthracen-9-yl]phenyl]-7-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine;2-[4-[10-[4-[10-[4-(1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine;3-phenyl-2-[4-[10-[4-[10-[4-(3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-1,8a-dihydroimidazo[1,2-a]pyridine
CID 159078779
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine (CID 118438397) is 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine is C1=CC2NC(c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)=C(c3ccccc3)N2C=C1.
What is the InChIKey of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is UUWFFENCJWSHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2/c1-2-14-32(15-3-1)43-42(44-39-23-10-11-28-45(39)43)31-26-24-30(25-27-31)40-35-18-6-8-20-37(35)41(38-21-9-7-19-36(38)40)34-22-12-16-29-13-4-5-17-33(29)34/h1-28,39,44H.
What are the key properties of 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine?
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 574.73 g/mol, XLogP of 10.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 118438397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).