2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

C134H82O3 — CID 164965808

IUPAC2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cc(-c5cccc6ccccc56)c5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/2C46H28O.C42H26O/c1-3-17-32-29(13-1)15-11-24-34(32)41-27-31(28-42-35-19-9-10-26-43(35)47-46(41)42)44-37-20-5-7-22-39(37)45(40-23-8-6-21-38(40)44)36-25-12-16-30-14-2-4-18-33(30)36;1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35;1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h2*1-28H;1-26H
InChIKeyCLSNSVBVOLLLHE-UHFFFAOYSA-N
MW1740.13 g/mol
LogP38.45
Rot. Bonds9

About 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 164965808) has the molecular formula C134H82O3 and a molecular weight of 1740.13 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
PubChem CID164965808
Molecular FormulaC134H82O3
Molecular Weight1740.13 g/mol
Exact Mass1738.63
IUPAC Name2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cc(-c5cccc6ccccc56)c5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/2C46H28O.C42H26O/c1-3-17-32-29(13-1)15-11-24-34(32)41-27-31(28-42-35-19-9-10-26-43(35)47-46(41)42)44-37-20-5-7-22-39(37)45(40-23-8-6-21-38(40)44)36-25-12-16-30-14-2-4-18-33(30)36;1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35;1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h2*1-28H;1-26H
InChIKeyCLSNSVBVOLLLHE-UHFFFAOYSA-N
XLogP38.45
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms137
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.13
LogP ≤ 538.45
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 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran (CID 164965808) is 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is c1ccc(-c2cccc3c2oc2ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc23)cc1.c1ccc2c(-c3c4ccccc4c(-c4cc(-c5cccc6ccccc56)c5oc6ccccc6c5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3cc4oc5ccccc5c4cc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is CLSNSVBVOLLLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28O.C42H26O/c1-3-17-32-29(13-1)15-11-24-34(32)41-27-31(28-42-35-19-9-10-26-43(35)47-46(41)42)44-37-20-5-7-22-39(37)45(40-23-8-6-21-38(40)44)36-25-12-16-30-14-2-4-18-33(30)36;1-3-17-31-29(13-1)15-11-24-33(31)40-28-44-41(34-19-9-10-26-43(34)47-44)27-42(40)46-38-22-7-5-20-36(38)45(37-21-6-8-23-39(37)46)35-25-12-16-30-14-2-4-18-32(30)35;1-2-12-28(13-3-1)32-19-10-20-37-38-26-31(23-24-39(38)43-42(32)37)41-35-17-8-6-15-33(35)40(34-16-7-9-18-36(34)41)30-22-21-27-11-4-5-14-29(27)25-30/h2*1-28H;1-26H.
What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran?
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 1740.13 g/mol, XLogP of 38.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran;3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 164965808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).