9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene

C154H102 — CID 165002547

IUPAC9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6ccc7ccccc7c6)c5)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30.3C36H24/c1-2-13-32(14-3-1)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)40-23-11-18-38-30-37(26-27-39(38)40)35-17-10-16-34(29-35)36-25-24-31-12-4-5-15-33(31)28-36;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30;1-2-11-27(12-3-1)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30;1-2-13-26(14-3-1)35-31-18-8-10-20-33(31)36(34-21-11-9-19-32(34)35)30-17-7-6-16-29(30)28-23-22-25-12-4-5-15-27(25)24-28/h1-30H;3*1-24H
InChIKeyILUFEEQNPXOENP-UHFFFAOYSA-N
MW1952.51 g/mol
LogP43.41
Rot. Bonds13

About 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene

9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene (PubChem CID 165002547) has the molecular formula C154H102 and a molecular weight of 1952.51 g/mol. Its IUPAC name is 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene.

Molecular Properties

Compound Name9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
PubChem CID165002547
Molecular FormulaC154H102
Molecular Weight1952.51 g/mol
Exact Mass1950.80
IUPAC Name9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6ccc7ccccc7c6)c5)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C46H30.3C36H24/c1-2-13-32(14-3-1)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)40-23-11-18-38-30-37(26-27-39(38)40)35-17-10-16-34(29-35)36-25-24-31-12-4-5-15-33(31)28-36;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30;1-2-11-27(12-3-1)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30;1-2-13-26(14-3-1)35-31-18-8-10-20-33(31)36(34-21-11-9-19-32(34)35)30-17-7-6-16-29(30)28-23-22-25-12-4-5-15-27(25)24-28/h1-30H;3*1-24H
InChIKeyILUFEEQNPXOENP-UHFFFAOYSA-N
XLogP43.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms154
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001952.51
LogP ≤ 543.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene?
The IUPAC name of 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene (CID 165002547) is 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene.
What is the SMILES notation for 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene?
The canonical SMILES for 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6ccc7ccccc7c6)c5)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene?
The InChIKey is ILUFEEQNPXOENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30.3C36H24/c1-2-13-32(14-3-1)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)40-23-11-18-38-30-37(26-27-39(38)40)35-17-10-16-34(29-35)36-25-24-31-12-4-5-15-33(31)28-36;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30;1-2-11-27(12-3-1)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30;1-2-13-26(14-3-1)35-31-18-8-10-20-33(31)36(34-21-11-9-19-32(34)35)30-17-7-6-16-29(30)28-23-22-25-12-4-5-15-27(25)24-28/h1-30H;3*1-24H.
What are the key properties of 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene?
9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene has a molecular weight of 1952.51 g/mol, XLogP of 43.41, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene is sourced from PubChem (CID 165002547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).