5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine

C69H43N — CID 89218094

IUPAC5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
SMILESC1=c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cn3)c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2=CCC1
InChIInChI=1S/C69H43N/c1-3-14-47-38-50(28-24-42(47)12-1)65-53-18-5-6-19-54(53)66(51-29-25-43-13-2-4-15-48(43)39-51)62-40-49(32-36-61(62)65)52-33-37-63(70-41-52)69-57-22-9-7-20-55(57)68(56-21-8-10-23-58(56)69)60-35-31-46-27-26-44-16-11-17-45-30-34-59(60)67(46)64(44)45/h1-7,9,11-41H,8,10H2
InChIKeyYHTGIGGQPIIXRP-UHFFFAOYSA-N
MW886.11 g/mol
LogP17.43
Rot. Bonds5

About 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine (PubChem CID 89218094) has the molecular formula C69H43N and a molecular weight of 886.11 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine.

Molecular Properties

Compound Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
PubChem CID89218094
Molecular FormulaC69H43N
Molecular Weight886.11 g/mol
Exact Mass885.34
IUPAC Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine
SMILESC1=c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cn3)c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2=CCC1
InChIInChI=1S/C69H43N/c1-3-14-47-38-50(28-24-42(47)12-1)65-53-18-5-6-19-54(53)66(51-29-25-43-13-2-4-15-48(43)39-51)62-40-49(32-36-61(62)65)52-33-37-63(70-41-52)69-57-22-9-7-20-55(57)68(56-21-8-10-23-58(56)69)60-35-31-46-27-26-44-16-11-17-45-30-34-59(60)67(46)64(44)45/h1-7,9,11-41H,8,10H2
InChIKeyYHTGIGGQPIIXRP-UHFFFAOYSA-N
XLogP17.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.11
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913
3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline
CID 142335647
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-2-yl-2-phenanthren-9-ylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene;1-(2-phenanthren-9-yl-10-pyren-1-ylanthracen-9-yl)pyrene
CID 160675826
9,10-dinaphthalen-1-yl-2-naphthalen-2-ylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;2-(3-naphthalen-1-yl-10-pyren-1-ylanthracen-9-yl)triphenylene;2,9,10-trinaphthalen-2-ylanthracene
CID 159027158
7-phenanthren-2-yl-12-pyren-1-ylbenzo[a]anthracene
CID 59575215
1-(2,3,4,5-tetranaphthalen-2-yl-6-pyren-4-ylphenyl)pyrene
CID 59993826
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
1,6-bis(10-naphthalen-2-ylphenanthren-9-yl)pyrene
CID 170778783
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine?
The IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine (CID 89218094) is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine.
What is the SMILES notation for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine?
The canonical SMILES for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine is C1=c2c(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cn3)c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c2=CCC1.
What is the InChIKey of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine?
The InChIKey is YHTGIGGQPIIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N/c1-3-14-47-38-50(28-24-42(47)12-1)65-53-18-5-6-19-54(53)66(51-29-25-43-13-2-4-15-48(43)39-51)62-40-49(32-36-61(62)65)52-33-37-63(70-41-52)69-57-22-9-7-20-55(57)68(56-21-8-10-23-58(56)69)60-35-31-46-27-26-44-16-11-17-45-30-34-59(60)67(46)64(44)45/h1-7,9,11-41H,8,10H2.
What are the key properties of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine?
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine has a molecular weight of 886.11 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2-(10-pyren-1-yl-2,3-dihydroanthracen-9-yl)pyridine is sourced from PubChem (CID 89218094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).