8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene

C44H32 — CID 123404270

IUPAC8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12
InChIInChI=1S/C44H32/c1-44(2,3)43-38-17-7-6-16-35(38)42(33-18-8-12-27-11-4-5-15-31(27)33)37-24-22-30(26-40(37)43)29-21-23-32-34-19-9-13-28-14-10-20-36(41(28)34)39(32)25-29/h4-26H,1-3H3
InChIKeyBRHLVFHUKVSHIX-UHFFFAOYSA-N
MW560.74 g/mol
LogP12.58
Rot. Bonds2

About 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene

8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene (PubChem CID 123404270) has the molecular formula C44H32 and a molecular weight of 560.74 g/mol. Its IUPAC name is 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene.

Molecular Properties

Compound Name8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
PubChem CID123404270
Molecular FormulaC44H32
Molecular Weight560.74 g/mol
Exact Mass560.25
IUPAC Name8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene
SMILESCC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12
InChIInChI=1S/C44H32/c1-44(2,3)43-38-17-7-6-16-35(38)42(33-18-8-12-27-11-4-5-15-31(27)33)37-24-22-30(26-40(37)43)29-21-23-32-34-19-9-13-28-14-10-20-36(41(28)34)39(32)25-29/h4-26H,1-3H3
InChIKeyBRHLVFHUKVSHIX-UHFFFAOYSA-N
XLogP12.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 512.58
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-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
1-[4-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)phenyl]pyrene
CID 123992521
9-tert-butyl-2-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-ylanthracene
CID 123878906
9-tert-butyl-2-(3,5-ditert-butylphenyl)-10-naphthalen-1-ylanthracene
CID 123207711
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-9-ylanthracene
CID 123371385
8-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)fluoranthene;1-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene;4-(9-tert-butyl-10-naphthalen-2-ylanthracen-2-yl)pyrene
CID 162218858
18-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 123431893
9-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)-7,7-dimethylbenzo[c]fluorene
CID 123996984
4-(9-tert-butyl-10-phenylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-phenylanthracen-2-yl)triphenylene;8-[9-tert-butyl-10-(3-phenylphenyl)anthracen-2-yl]fluoranthene
CID 160643869
2-anthracen-2-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;2-anthracen-9-yl-9-tert-butyl-10-naphthalen-1-ylanthracene;1-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;2-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)pyrene;9-tert-butyl-10-naphthalen-1-yl-2-phenanthren-2-ylanthracene
CID 161344956
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 123147035

Frequently Asked Questions

What is the IUPAC name of 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene?
The IUPAC name of 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene (CID 123404270) is 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene.
What is the SMILES notation for 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene?
The canonical SMILES for 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene is CC(C)(C)c1c2ccccc2c(-c2cccc3ccccc23)c2ccc(-c3ccc4c(c3)-c3cccc5cccc-4c35)cc12.
What is the InChIKey of 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene?
The InChIKey is BRHLVFHUKVSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32/c1-44(2,3)43-38-17-7-6-16-35(38)42(33-18-8-12-27-11-4-5-15-31(27)33)37-24-22-30(26-40(37)43)29-21-23-32-34-19-9-13-28-14-10-20-36(41(28)34)39(32)25-29/h4-26H,1-3H3.
What are the key properties of 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene?
8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene has a molecular weight of 560.74 g/mol, XLogP of 12.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9-tert-butyl-10-naphthalen-1-ylanthracen-2-yl)fluoranthene is sourced from PubChem (CID 123404270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).