8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene

C48H28F2 — CID 89177953

IUPAC8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene
SMILESFc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)cc3ccccc35)ccc2c1
InChIInChI=1S/C48H28F2/c49-37-20-18-30-22-35(16-14-32(30)24-37)47-40-12-6-7-13-41(40)48(36-17-15-33-25-38(50)21-19-31(33)23-36)46-28-44-42(29-8-2-1-3-9-29)26-34-10-4-5-11-39(34)43(44)27-45(46)47/h1-28H
InChIKeyCQGUCPQPGAFCCX-UHFFFAOYSA-N
MW642.75 g/mol
LogP13.89
Rot. Bonds3

About 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene

8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene (PubChem CID 89177953) has the molecular formula C48H28F2 and a molecular weight of 642.75 g/mol. Its IUPAC name is 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene.

Molecular Properties

Compound Name8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene
PubChem CID89177953
Molecular FormulaC48H28F2
Molecular Weight642.75 g/mol
Exact Mass642.22
IUPAC Name8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene
SMILESFc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)cc3ccccc35)ccc2c1
InChIInChI=1S/C48H28F2/c49-37-20-18-30-22-35(16-14-32(30)24-37)47-40-12-6-7-13-41(40)48(36-17-15-33-25-38(50)21-19-31(33)23-36)46-28-44-42(29-8-2-1-3-9-29)26-34-10-4-5-11-39(34)43(44)27-45(46)47/h1-28H
InChIKeyCQGUCPQPGAFCCX-UHFFFAOYSA-N
XLogP13.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.75
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(6,7-diphenylnaphthalen-2-yl)-10-phenanthren-2-ylanthracene
CID 91535853
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-diphenylphenanthrene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-10-phenylphenanthrene;3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9,10-diphenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene;2-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene;3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-9-phenylphenanthrene
CID 161199830
9-(3,5-diphenylphenyl)-10-[7-(4-phenanthren-9-ylphenyl)naphthalen-2-yl]anthracene
CID 123644729
10-naphthalen-2-yl-1-(4-phenylphenyl)anthracene
CID 173141630
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylbenzo[a]tetracen-13-yl]-4,6-diphenyl-1,3,5-triazine
CID 89177922
9-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]-10-(4-phenylnaphthalen-2-yl)anthracene
CID 140754630
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
8,13-dinaphthalen-1-yl-2,6-diphenylbenzo[a]tetracene
CID 123219692
2-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]triphenylene
CID 59583053
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349

Frequently Asked Questions

What is the IUPAC name of 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene?
The IUPAC name of 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene (CID 89177953) is 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene.
What is the SMILES notation for 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene?
The canonical SMILES for 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene is Fc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(F)ccc5c4)c4cc5c(cc34)c(-c3ccccc3)cc3ccccc35)ccc2c1.
What is the InChIKey of 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene?
The InChIKey is CQGUCPQPGAFCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F2/c49-37-20-18-30-22-35(16-14-32(30)24-37)47-40-12-6-7-13-41(40)48(36-17-15-33-25-38(50)21-19-31(33)23-36)46-28-44-42(29-8-2-1-3-9-29)26-34-10-4-5-11-39(34)43(44)27-45(46)47/h1-28H.
What are the key properties of 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene?
8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene has a molecular weight of 642.75 g/mol, XLogP of 13.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-bis(6-fluoronaphthalen-2-yl)-6-phenylbenzo[a]tetracene is sourced from PubChem (CID 89177953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).