ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene

C49H52 — CID 157325912

IUPACethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
SMILESCC.CC.CC.CC.Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C41H28.4C2H6/c1-27-11-10-14-30(25-27)32-23-24-39(34-16-5-4-15-33(32)34)41-37-19-8-6-17-35(37)40(36-18-7-9-20-38(36)41)31-22-21-28-12-2-3-13-29(28)26-31;4*1-2/h2-26H,1H3;4*1-2H3
InChIKeyBESHMBFUVJKSAX-UHFFFAOYSA-N
MW640.95 g/mol
LogP15.71
Rot. Bonds3

About ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene

ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene (PubChem CID 157325912) has the molecular formula C49H52 and a molecular weight of 640.95 g/mol. Its IUPAC name is ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Nameethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
PubChem CID157325912
Molecular FormulaC49H52
Molecular Weight640.95 g/mol
Exact Mass640.41
IUPAC Nameethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene
SMILESCC.CC.CC.CC.Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1
InChIInChI=1S/C41H28.4C2H6/c1-27-11-10-14-30(25-27)32-23-24-39(34-16-5-4-15-33(32)34)41-37-19-8-6-17-35(37)40(36-18-7-9-20-38(36)41)31-22-21-28-12-2-3-13-29(28)26-31;4*1-2/h2-26H,1H3;4*1-2H3
InChIKeyBESHMBFUVJKSAX-UHFFFAOYSA-N
XLogP15.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.95
LogP ≤ 515.71
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-(4-naphthalen-2-ylnaphthalen-1-yl)-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene
CID 123218552
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 158274717
9-(3-methylphenyl)-10-[6-(3-phenylphenyl)naphthalen-2-yl]anthracene
CID 163825229
9-naphthalen-2-yl-10-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]anthracene;thiohydroxylamine
CID 143300939
2-(3-methylphenyl)-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58894893
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390

Frequently Asked Questions

What is the IUPAC name of ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The IUPAC name of ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene (CID 157325912) is ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene.
What is the SMILES notation for ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The canonical SMILES for ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene is CC.CC.CC.CC.Cc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)c1.
What is the InChIKey of ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
The InChIKey is BESHMBFUVJKSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28.4C2H6/c1-27-11-10-14-30(25-27)32-23-24-39(34-16-5-4-15-33(32)34)41-37-19-8-6-17-35(37)40(36-18-7-9-20-38(36)41)31-22-21-28-12-2-3-13-29(28)26-31;4*1-2/h2-26H,1H3;4*1-2H3.
What are the key properties of ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene?
ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene has a molecular weight of 640.95 g/mol, XLogP of 15.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[4-(3-methylphenyl)naphthalen-1-yl]-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 157325912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).