6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran

C148H92O3 — CID 165098600

IUPAC6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6cccc7ccccc67)cccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccccc34)cc3c2oc2ccccc23)cc1.c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H32O.2C48H30O/c1-2-15-35-31-36(28-27-33(35)13-1)39-18-5-6-19-41(39)51-44-22-9-7-20-42(44)50(43-21-8-10-23-45(43)51)37-29-30-49-48(32-37)47-26-12-25-46(52(47)53-49)40-24-11-16-34-14-3-4-17-38(34)40;1-2-15-32(16-3-1)43-29-35(30-44-37-19-12-13-25-45(37)49-48(43)44)46-39-21-8-10-23-41(39)47(42-24-11-9-22-40(42)46)38-20-7-6-18-36(38)34-27-26-31-14-4-5-17-33(31)28-34;1-2-15-32(16-3-1)42-30-46-43(36-19-12-13-25-45(36)49-46)29-44(42)48-40-23-10-8-21-38(40)47(39-22-9-11-24-41(39)48)37-20-7-6-18-35(37)34-27-26-31-14-4-5-17-33(31)28-34/h1-32H;2*1-30H
InChIKeyXXXMKQRLECYACQ-UHFFFAOYSA-N
MW1918.36 g/mol
LogP42.29
Rot. Bonds12

About 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran

6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran (PubChem CID 165098600) has the molecular formula C148H92O3 and a molecular weight of 1918.36 g/mol. Its IUPAC name is 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran.

Molecular Properties

Compound Name6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran
PubChem CID165098600
Molecular FormulaC148H92O3
Molecular Weight1918.36 g/mol
Exact Mass1916.70
IUPAC Name6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6cccc7ccccc67)cccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccccc34)cc3c2oc2ccccc23)cc1.c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H32O.2C48H30O/c1-2-15-35-31-36(28-27-33(35)13-1)39-18-5-6-19-41(39)51-44-22-9-7-20-42(44)50(43-21-8-10-23-45(43)51)37-29-30-49-48(32-37)47-26-12-25-46(52(47)53-49)40-24-11-16-34-14-3-4-17-38(34)40;1-2-15-32(16-3-1)43-29-35(30-44-37-19-12-13-25-45(37)49-48(43)44)46-39-21-8-10-23-41(39)47(42-24-11-9-22-40(42)46)38-20-7-6-18-36(38)34-27-26-31-14-4-5-17-33(31)28-34;1-2-15-32(16-3-1)42-30-46-43(36-19-12-13-25-45(36)49-46)29-44(42)48-40-23-10-8-21-38(40)47(39-22-9-11-24-41(39)48)37-20-7-6-18-35(37)34-27-26-31-14-4-5-17-33(31)28-34/h1-32H;2*1-30H
InChIKeyXXXMKQRLECYACQ-UHFFFAOYSA-N
XLogP42.29
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms151
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001918.36
LogP ≤ 542.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran?
The IUPAC name of 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran (CID 165098600) is 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran.
What is the SMILES notation for 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran?
The canonical SMILES for 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4oc5c(-c6cccc7ccccc67)cccc5c4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c4ccccc34)cc3c2oc2ccccc23)cc1.c1ccc(-c2cc3oc4ccccc4c3cc2-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran?
The InChIKey is XXXMKQRLECYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O.2C48H30O/c1-2-15-35-31-36(28-27-33(35)13-1)39-18-5-6-19-41(39)51-44-22-9-7-20-42(44)50(43-21-8-10-23-45(43)51)37-29-30-49-48(32-37)47-26-12-25-46(52(47)53-49)40-24-11-16-34-14-3-4-17-38(34)40;1-2-15-32(16-3-1)43-29-35(30-44-37-19-12-13-25-45(37)49-48(43)44)46-39-21-8-10-23-41(39)47(42-24-11-9-22-40(42)46)38-20-7-6-18-36(38)34-27-26-31-14-4-5-17-33(31)28-34;1-2-15-32(16-3-1)42-30-46-43(36-19-12-13-25-45(36)49-46)29-44(42)48-40-23-10-8-21-38(40)47(39-22-9-11-24-41(39)48)37-20-7-6-18-35(37)34-27-26-31-14-4-5-17-33(31)28-34/h1-32H;2*1-30H.
What are the key properties of 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran?
6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran has a molecular weight of 1918.36 g/mol, XLogP of 42.29, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;2-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]-4-phenyldibenzofuran is sourced from PubChem (CID 165098600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).