9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene

C176H112 — CID 161123481

IUPAC9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc4c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cccc4c3)cccc2c1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/4C44H28/c1-3-17-33-29(12-1)14-9-23-35(33)32-26-27-36-31(28-32)16-11-25-38(36)44-41-21-7-5-19-39(41)43(40-20-6-8-22-42(40)44)37-24-10-15-30-13-2-4-18-34(30)37;1-3-17-33-29(12-1)14-9-23-35(33)32-27-26-31-16-11-25-41(42(31)28-32)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)36-24-10-15-30-13-2-4-18-34(30)36;1-3-17-31-29(13-1)15-11-25-33(31)36-27-28-42(35-20-6-5-19-34(35)36)44-40-23-9-7-21-38(40)43(39-22-8-10-24-41(39)44)37-26-12-16-30-14-2-4-18-32(30)37;1-2-15-32-28-33(25-24-29(32)12-1)36-27-26-31-14-4-6-18-35(31)43(36)44-40-21-9-7-19-38(40)42(39-20-8-10-22-41(39)44)37-23-11-16-30-13-3-5-17-34(30)37/h4*1-28H
InChIKeyULGGFDWKVXZBTD-UHFFFAOYSA-N
MW2226.83 g/mol
LogP49.81
Rot. Bonds12

About 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene

9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene (PubChem CID 161123481) has the molecular formula C176H112 and a molecular weight of 2226.83 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene
PubChem CID161123481
Molecular FormulaC176H112
Molecular Weight2226.83 g/mol
Exact Mass2224.88
IUPAC Name9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene
SMILESc1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc4c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cccc4c3)cccc2c1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
InChIInChI=1S/4C44H28/c1-3-17-33-29(12-1)14-9-23-35(33)32-26-27-36-31(28-32)16-11-25-38(36)44-41-21-7-5-19-39(41)43(40-20-6-8-22-42(40)44)37-24-10-15-30-13-2-4-18-34(30)37;1-3-17-33-29(12-1)14-9-23-35(33)32-27-26-31-16-11-25-41(42(31)28-32)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)36-24-10-15-30-13-2-4-18-34(30)36;1-3-17-31-29(13-1)15-11-25-33(31)36-27-28-42(35-20-6-5-19-34(35)36)44-40-23-9-7-21-38(40)43(39-22-8-10-24-41(39)44)37-26-12-16-30-14-2-4-18-32(30)37;1-2-15-32-28-33(25-24-29(32)12-1)36-27-26-31-14-4-6-18-35(31)43(36)44-40-21-9-7-19-38(40)42(39-20-8-10-22-41(39)44)37-23-11-16-30-13-3-5-17-34(30)37/h4*1-28H
InChIKeyULGGFDWKVXZBTD-UHFFFAOYSA-N
XLogP49.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms176
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002226.83
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene (CID 161123481) is 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene is c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc4c(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cccc4c3)cccc2c1.c1ccc2c(-c3ccc4cccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)c4c3)cccc2c1.c1ccc2cc(-c3ccc4ccccc4c3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.
What is the InChIKey of 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene?
The InChIKey is ULGGFDWKVXZBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C44H28/c1-3-17-33-29(12-1)14-9-23-35(33)32-26-27-36-31(28-32)16-11-25-38(36)44-41-21-7-5-19-39(41)43(40-20-6-8-22-42(40)44)37-24-10-15-30-13-2-4-18-34(30)37;1-3-17-33-29(12-1)14-9-23-35(33)32-27-26-31-16-11-25-41(42(31)28-32)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)36-24-10-15-30-13-2-4-18-34(30)36;1-3-17-31-29(13-1)15-11-25-33(31)36-27-28-42(35-20-6-5-19-34(35)36)44-40-23-9-7-21-38(40)43(39-22-8-10-24-41(39)44)37-26-12-16-30-14-2-4-18-32(30)37;1-2-15-32-28-33(25-24-29(32)12-1)36-27-26-31-14-4-6-18-35(31)43(36)44-40-21-9-7-19-38(40)42(39-20-8-10-22-41(39)44)37-23-11-16-30-13-3-5-17-34(30)37/h4*1-28H.
What are the key properties of 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene?
9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene has a molecular weight of 2226.83 g/mol, XLogP of 49.81, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-10-(2-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 161123481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).