6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine

C60H42N4 — CID 123556672

IUPAC6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CC2N=C(c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(C8=NC9C=CC(c%10ccccc%10)=CN9C8)ccc7c6)c6ccccc56)ccc4c3)CN2C=C1c1ccccc1
InChIInChI=1S/C60H42N4/c1-3-11-39(12-4-1)49-27-29-57-61-55(37-63(57)35-49)45-23-19-43-33-47(25-21-41(43)31-45)59-51-15-7-9-17-53(51)60(54-18-10-8-16-52(54)59)48-26-22-42-32-46(24-20-44(42)34-48)56-38-64-36-50(28-30-58(64)62-56)40-13-5-2-6-14-40/h1-36,57-58H,37-38H2
InChIKeyIJGVCIHNUPFJOL-UHFFFAOYSA-N
MW819.02 g/mol
LogP13.72
Rot. Bonds6

About 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine

6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 123556672) has the molecular formula C60H42N4 and a molecular weight of 819.02 g/mol. Its IUPAC name is 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine
PubChem CID123556672
Molecular FormulaC60H42N4
Molecular Weight819.02 g/mol
Exact Mass818.34
IUPAC Name6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine
SMILESC1=CC2N=C(c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(C8=NC9C=CC(c%10ccccc%10)=CN9C8)ccc7c6)c6ccccc56)ccc4c3)CN2C=C1c1ccccc1
InChIInChI=1S/C60H42N4/c1-3-11-39(12-4-1)49-27-29-57-61-55(37-63(57)35-49)45-23-19-43-33-47(25-21-41(43)31-45)59-51-15-7-9-17-53(51)60(54-18-10-8-16-52(54)59)48-26-22-42-32-46(24-20-44(42)34-48)56-38-64-36-50(28-30-58(64)62-56)40-13-5-2-6-14-40/h1-36,57-58H,37-38H2
InChIKeyIJGVCIHNUPFJOL-UHFFFAOYSA-N
XLogP13.72
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine with MolForge

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Related Compounds

6-phenyl-2-[4-[10-[4-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[1,2-a]pyridine
CID 123335099
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-(3-phenylphenyl)-10-[6-[10-(3-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438367
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
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
CID 59024575
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
2-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]triphenylene
CID 59583058
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine?
The IUPAC name of 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine (CID 123556672) is 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine?
The canonical SMILES for 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine is C1=CC2N=C(c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(C8=NC9C=CC(c%10ccccc%10)=CN9C8)ccc7c6)c6ccccc56)ccc4c3)CN2C=C1c1ccccc1.
What is the InChIKey of 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine?
The InChIKey is IJGVCIHNUPFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4/c1-3-11-39(12-4-1)49-27-29-57-61-55(37-63(57)35-49)45-23-19-43-33-47(25-21-41(43)31-45)59-51-15-7-9-17-53(51)60(54-18-10-8-16-52(54)59)48-26-22-42-32-46(24-20-44(42)34-48)56-38-64-36-50(28-30-58(64)62-56)40-13-5-2-6-14-40/h1-36,57-58H,37-38H2.
What are the key properties of 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine?
6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 819.02 g/mol, XLogP of 13.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[6-[10-[6-(6-phenyl-3,8a-dihydroimidazo[1,2-a]pyridin-2-yl)naphthalen-2-yl]anthracen-9-yl]naphthalen-2-yl]-3,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 123556672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).