4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole

C148H97NO3 — CID 159356417

About 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole

4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 159356417) has the molecular formula C148H97NO3 and a molecular weight of 1937.41 g/mol. Its IUPAC name is 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 159356417
• Molecular Formula: C148H97NO3
• Molecular Weight: 1937.41 g/mol
• Exact Mass: 1935.75
• IUPAC Name: 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
• SMILES: CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)oc1c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(-c8cccc9c8oc8ccccc89)ccc7c6)c6ccccc56)ccc4c3)cccc12
• InChI: InChI=1S/C58H34O2.C46H34O.C44H29N/c1-2-14-48-47(13-1)55(41-29-25-35-31-39(27-23-37(35)33-41)43-17-9-19-51-45-11-5-7-21-53(45)59-57(43)51)49-15-3-4-16-50(49)56(48)42-30-26-36-32-40(28-24-38(36)34-42)44-18-10-20-52-46-12-6-8-22-54(46)60-58(44)52;1-46(2,3)34-25-23-29(24-26-34)43-37-12-4-6-14-39(37)44(40-15-7-5-13-38(40)43)33-22-20-30-27-32(21-19-31(30)28-33)35-16-10-17-41-36-11-8-9-18-42(36)47-45(35)41;1-2-12-30(13-3-1)31-22-24-32(25-23-31)43-37-16-4-6-18-39(37)44(40-19-7-5-17-38(40)43)33-26-28-34(29-27-33)45-41-20-10-8-14-35(41)36-15-9-11-21-42(36)45/h1-34H;4-28H,1-3H3;1-29H
• InChIKey: LHZASSYRGPIXIS-UHFFFAOYSA-N
• XLogP: 42.20
• TPSA: 44.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1937.41
LogP ≤ 5	42.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole (CID 159356417) is 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5cccc6c5oc5ccccc56)ccc4c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)oc1c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(-c8cccc9c8oc8ccccc89)ccc7c6)c6ccccc56)ccc4c3)cccc12.

What is the InChIKey of 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?

The InChIKey is LHZASSYRGPIXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34O2.C46H34O.C44H29N/c1-2-14-48-47(13-1)55(41-29-25-35-31-39(27-23-37(35)33-41)43-17-9-19-51-45-11-5-7-21-53(45)59-57(43)51)49-15-3-4-16-50(49)56(48)42-30-26-36-32-40(28-24-38(36)34-42)44-18-10-20-52-46-12-6-8-22-54(46)60-58(44)52;1-46(2,3)34-25-23-29(24-26-34)43-37-12-4-6-14-39(37)44(40-15-7-5-13-38(40)43)33-22-20-30-27-32(21-19-31(30)28-33)35-16-10-17-41-36-11-8-9-18-42(36)47-45(35)41;1-2-12-30(13-3-1)31-22-24-32(25-23-31)43-37-16-4-6-18-39(37)44(40-19-7-5-17-38(40)43)33-26-28-34(29-27-33)45-41-20-10-8-14-35(41)36-15-9-11-21-42(36)45/h1-34H;4-28H,1-3H3;1-29H.

What are the key properties of 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole?

4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 1937.41 g/mol, XLogP of 42.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;4-[6-[10-(6-dibenzofuran-4-ylnaphthalen-2-yl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 159356417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).