9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene

C45H36 — CID 153465608

IUPAC9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
SMILESCc1c(C)c(C)c(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)c(C)c1C
InChIInChI=1S/C45H36/c1-27-28(2)30(4)43(31(5)29(27)3)36-23-24-41-42(26-36)45(38-20-12-16-33-14-8-9-17-37(33)38)40-19-11-10-18-39(40)44(41)35-22-21-32-13-6-7-15-34(32)25-35/h6-26H,1-5H3
InChIKeyHFEBQIYAIIRIHD-UHFFFAOYSA-N
MW576.78 g/mol
LogP12.84
Rot. Bonds3

About 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene

9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene (PubChem CID 153465608) has the molecular formula C45H36 and a molecular weight of 576.78 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
PubChem CID153465608
Molecular FormulaC45H36
Molecular Weight576.78 g/mol
Exact Mass576.28
IUPAC Name9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene
SMILESCc1c(C)c(C)c(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)c(C)c1C
InChIInChI=1S/C45H36/c1-27-28(2)30(4)43(31(5)29(27)3)36-23-24-41-42(26-36)45(38-20-12-16-33-14-8-9-17-37(33)38)40-19-11-10-18-39(40)44(41)35-22-21-32-13-6-7-15-34(32)25-35/h6-26H,1-5H3
InChIKeyHFEBQIYAIIRIHD-UHFFFAOYSA-N
XLogP12.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.78
LogP ≤ 512.84
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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Related Compounds

ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene?
The IUPAC name of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene (CID 153465608) is 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene is Cc1c(C)c(C)c(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4cccc5ccccc45)c3c2)c(C)c1C.
What is the InChIKey of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene?
The InChIKey is HFEBQIYAIIRIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36/c1-27-28(2)30(4)43(31(5)29(27)3)36-23-24-41-42(26-36)45(38-20-12-16-33-14-8-9-17-37(33)38)40-19-11-10-18-39(40)44(41)35-22-21-32-13-6-7-15-34(32)25-35/h6-26H,1-5H3.
What are the key properties of 9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene?
9-naphthalen-1-yl-10-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene has a molecular weight of 576.78 g/mol, XLogP of 12.84, 3 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-naphthalen-2-yl-2-(2,3,4,5,6-pentamethylphenyl)anthracene is sourced from PubChem (CID 153465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).