2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan

C46H30O — CID 137391745

IUPAC2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)o2)cc1
InChIInChI=1S/C46H30O/c1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-30H
InChIKeyRSMCXGKZFSOSRQ-UHFFFAOYSA-N
MW598.75 g/mol
LogP13.07
Rot. Bonds5

About 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan

2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan (PubChem CID 137391745) has the molecular formula C46H30O and a molecular weight of 598.75 g/mol. Its IUPAC name is 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan.

Molecular Properties

Compound Name2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan
PubChem CID137391745
Molecular FormulaC46H30O
Molecular Weight598.75 g/mol
Exact Mass598.23
IUPAC Name2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan
SMILESc1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)o2)cc1
InChIInChI=1S/C46H30O/c1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-30H
InChIKeyRSMCXGKZFSOSRQ-UHFFFAOYSA-N
XLogP13.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran
CID 20758324
10-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188801
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 58895447
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-benzofuran;bis(2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran);2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran
CID 157111985
9-phenyl-10-[5-phenyl-8-[3-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837443
9-naphthalen-1-yl-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 142696935
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
9-naphthalen-1-yl-10-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(4-phenylnaphthalen-1-yl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159990389

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan?
The IUPAC name of 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan (CID 137391745) is 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan.
What is the SMILES notation for 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan?
The canonical SMILES for 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan is c1ccc(-c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)c6ccccc56)c5ccccc45)c3)o2)cc1.
What is the InChIKey of 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan?
The InChIKey is RSMCXGKZFSOSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30O/c1-3-14-31(15-4-1)35-26-27-42(37-21-8-7-20-36(35)37)46-40-24-11-9-22-38(40)45(39-23-10-12-25-41(39)46)34-19-13-18-33(30-34)44-29-28-43(47-44)32-16-5-2-6-17-32/h1-30H.
What are the key properties of 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan?
2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan has a molecular weight of 598.75 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan is sourced from PubChem (CID 137391745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).