2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene

C50H32 — CID 58322909

IUPAC2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C50H32/c1-2-15-33(16-3-1)38-21-8-11-25-43(38)49-44-26-12-13-27-45(44)50(47-31-35-18-5-7-22-40(35)41-23-9-10-24-42(41)47)48-32-36(29-30-46(48)49)39-28-14-19-34-17-4-6-20-37(34)39/h1-32H
InChIKeyAEHDAHZZTXURLN-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene

2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene (PubChem CID 58322909) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
PubChem CID58322909
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C50H32/c1-2-15-33(16-3-1)38-21-8-11-25-43(38)49-44-26-12-13-27-45(44)50(47-31-35-18-5-7-22-40(35)41-23-9-10-24-42(41)47)48-32-36(29-30-46(48)49)39-28-14-19-34-17-4-6-20-37(34)39/h1-32H
InChIKeyAEHDAHZZTXURLN-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-phenanthren-9-yl-2-phenyl-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 59793185
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenanthren-9-ylanthracene
CID 158312736
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-phenanthren-9-ylanthracene
CID 143986124
2-naphthalen-2-yl-10-phenanthren-9-yl-9-(2-phenylphenyl)anthracene
CID 58323367

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene (CID 58322909) is 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
The InChIKey is AEHDAHZZTXURLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-15-33(16-3-1)38-21-8-11-25-43(38)49-44-26-12-13-27-45(44)50(47-31-35-18-5-7-22-40(35)41-23-9-10-24-42(41)47)48-32-36(29-30-46(48)49)39-28-14-19-34-17-4-6-20-37(34)39/h1-32H.
What are the key properties of 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene?
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene is sourced from PubChem (CID 58322909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).