10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene

C46H30 — CID 166566465

IUPAC10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-12-35(13-3-1)45-41-16-8-9-17-42(41)46(40-25-23-32-11-5-7-15-37(32)29-40)43-27-26-39(30-44(43)45)34-20-18-33(19-21-34)38-24-22-31-10-4-6-14-36(31)28-38/h1-30H
InChIKeyPVPMJYNAEKPZQU-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.97
Rot. Bonds4

About 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene

10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene (PubChem CID 166566465) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene.

Molecular Properties

Compound Name10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
PubChem CID166566465
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1
InChIInChI=1S/C46H30/c1-2-12-35(13-3-1)45-41-16-8-9-17-42(41)46(40-25-23-32-11-5-7-15-37(32)29-40)43-27-26-39(30-44(43)45)34-20-18-33(19-21-34)38-24-22-31-10-4-6-14-36(31)28-38/h1-30H
InChIKeyPVPMJYNAEKPZQU-UHFFFAOYSA-N
XLogP12.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.97
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

9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene?
The IUPAC name of 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene (CID 166566465) is 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene.
What is the SMILES notation for 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene?
The canonical SMILES for 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene is c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc23)cc1.
What is the InChIKey of 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene?
The InChIKey is PVPMJYNAEKPZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-2-12-35(13-3-1)45-41-16-8-9-17-42(41)46(40-25-23-32-11-5-7-15-37(32)29-40)43-27-26-39(30-44(43)45)34-20-18-33(19-21-34)38-24-22-31-10-4-6-14-36(31)28-38/h1-30H.
What are the key properties of 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene?
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene has a molecular weight of 582.75 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene is sourced from PubChem (CID 166566465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).