9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene

C62H40 — CID 123644729

IUPAC9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C62H40/c1-3-15-41(16-4-1)50-37-51(42-17-5-2-6-18-42)39-52(38-50)62-58-25-13-11-23-56(58)61(57-24-12-14-26-59(57)62)48-34-30-44-29-33-46(35-49(44)36-48)43-27-31-45(32-28-43)60-40-47-19-7-8-20-53(47)54-21-9-10-22-55(54)60/h1-40H
InChIKeyZEIIYOTWTICJOP-UHFFFAOYSA-N
MW785.00 g/mol
LogP17.45
Rot. Bonds6

About 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene

9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene (PubChem CID 123644729) has the molecular formula C62H40 and a molecular weight of 785.00 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
PubChem CID123644729
Molecular FormulaC62H40
Molecular Weight785.00 g/mol
Exact Mass784.31
IUPAC Name9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C62H40/c1-3-15-41(16-4-1)50-37-51(42-17-5-2-6-18-42)39-52(38-50)62-58-25-13-11-23-56(58)61(57-24-12-14-26-59(57)62)48-34-30-44-29-33-46(35-49(44)36-48)43-27-31-45(32-28-43)60-40-47-19-7-8-20-53(47)54-21-9-10-22-55(54)60/h1-40H
InChIKeyZEIIYOTWTICJOP-UHFFFAOYSA-N
XLogP17.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.00
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-naphthalen-2-yl-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene;9-naphthalen-2-yl-10-(7-phenanthren-9-ylnaphthalen-2-yl)anthracene
CID 159812962
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-[7-(3,5-diphenylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene;9-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene
CID 160659436
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenanthren-9-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159797606
9-phenyl-10-[6-(4-phenylphenyl)-8-[4-(3-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837417
9-phenanthren-9-yl-10-[7-(2-phenylphenyl)naphthalen-2-yl]anthracene
CID 123698670
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene (CID 123644729) is 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5ccc(-c6ccc(-c7cc8ccccc8c8ccccc78)cc6)cc5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is ZEIIYOTWTICJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40/c1-3-15-41(16-4-1)50-37-51(42-17-5-2-6-18-42)39-52(38-50)62-58-25-13-11-23-56(58)61(57-24-12-14-26-59(57)62)48-34-30-44-29-33-46(35-49(44)36-48)43-27-31-45(32-28-43)60-40-47-19-7-8-20-53(47)54-21-9-10-22-55(54)60/h1-40H.
What are the key properties of 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene?
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene has a molecular weight of 785.00 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123644729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).