1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran

C48H30O — CID 174167556

IUPAC1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C48H30O/c1-2-13-31(14-3-1)33-27-28-44-43(30-33)48-42(25-12-26-45(48)49-44)47-40-22-8-6-20-38(40)46(39-21-7-9-23-41(39)47)35-18-10-17-34(29-35)37-24-11-16-32-15-4-5-19-36(32)37/h1-30H
InChIKeyZFZDLUPZCMGHCV-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran

1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran (PubChem CID 174167556) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran.

Molecular Properties

Compound Name1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
PubChem CID174167556
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
SMILESc1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc56)c4c3c2)cc1
InChIInChI=1S/C48H30O/c1-2-13-31(14-3-1)33-27-28-44-43(30-33)48-42(25-12-26-45(48)49-44)47-40-22-8-6-20-38(40)46(39-21-7-9-23-41(39)47)35-18-10-17-34(29-35)37-24-11-16-32-15-4-5-19-36(32)37/h1-30H
InChIKeyZFZDLUPZCMGHCV-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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

5-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 163772401
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 159932863
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167561515
2-[3-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58322844
9-(3-naphthalen-1-ylphenyl)-10-(7-phenylnaphthalen-1-yl)anthracene;2-[2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]dibenzofuran
CID 165000959
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842

Frequently Asked Questions

What is the IUPAC name of 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran?
The IUPAC name of 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran (CID 174167556) is 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran.
What is the SMILES notation for 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran?
The canonical SMILES for 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran is c1ccc(-c2ccc3oc4cccc(-c5c6ccccc6c(-c6cccc(-c7cccc8ccccc78)c6)c6ccccc56)c4c3c2)cc1.
What is the InChIKey of 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran?
The InChIKey is ZFZDLUPZCMGHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-2-13-31(14-3-1)33-27-28-44-43(30-33)48-42(25-12-26-45(48)49-44)47-40-22-8-6-20-38(40)46(39-21-7-9-23-41(39)47)35-18-10-17-34(29-35)37-24-11-16-32-15-4-5-19-36(32)37/h1-30H.
What are the key properties of 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran?
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran is sourced from PubChem (CID 174167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).