9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene

C38H30 — CID 168720021

IUPAC9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
SMILESCC(C)(C)c1ccc2ccccc2c1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C38H30/c1-38(2,3)34-24-23-26-14-5-7-17-28(26)37(34)36-32-20-10-8-18-30(32)35(31-19-9-11-21-33(31)36)29-22-12-15-25-13-4-6-16-27(25)29/h4-24H,1-3H3
InChIKeyVQSWGWPESYLZJI-UHFFFAOYSA-N
MW486.66 g/mol
LogP10.93
Rot. Bonds2

About 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene

9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene (PubChem CID 168720021) has the molecular formula C38H30 and a molecular weight of 486.66 g/mol. Its IUPAC name is 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
PubChem CID168720021
Molecular FormulaC38H30
Molecular Weight486.66 g/mol
Exact Mass486.23
IUPAC Name9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene
SMILESCC(C)(C)c1ccc2ccccc2c1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C38H30/c1-38(2,3)34-24-23-26-14-5-7-17-28(26)37(34)36-32-20-10-8-18-30(32)35(31-19-9-11-21-33(31)36)29-22-12-15-25-13-4-6-16-27(25)29/h4-24H,1-3H3
InChIKeyVQSWGWPESYLZJI-UHFFFAOYSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 510.93
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-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499
1,10-dinaphthalen-1-ylanthracene
CID 58645117
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859
N-tert-butyl-1-naphthalen-1-ylnaphthalen-2-amine
CID 146334999
1-anthracen-9-yl-6-tert-butylpyrene
CID 140650332
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
9-naphthalen-1-yl-10-(10-naphthalen-1-ylanthracen-9-yl)oxyanthracene
CID 90290732
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
9-naphthalen-1-yl-10-(4-phenanthren-4-ylnaphthalen-1-yl)anthracene
CID 58194513
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
1-(4-tert-butyl-2,6-diethynylphenyl)naphthalene
CID 102219651

Frequently Asked Questions

What is the IUPAC name of 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene (CID 168720021) is 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene is CC(C)(C)c1ccc2ccccc2c1-c1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene?
The InChIKey is VQSWGWPESYLZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30/c1-38(2,3)34-24-23-26-14-5-7-17-28(26)37(34)36-32-20-10-8-18-30(32)35(31-19-9-11-21-33(31)36)29-22-12-15-25-13-4-6-16-27(25)29/h4-24H,1-3H3.
What are the key properties of 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene?
9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene has a molecular weight of 486.66 g/mol, XLogP of 10.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-tert-butylnaphthalen-1-yl)-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 168720021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).