4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine

C204H202N14O2S2 — CID 159988163

About 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine

4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine (PubChem CID 159988163) has the molecular formula C204H202N14O2S2 and a molecular weight of 2946.09 g/mol. Its IUPAC name is 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine
• PubChem CID: 159988163
• Molecular Formula: C204H202N14O2S2
• Molecular Weight: 2946.09 g/mol
• Exact Mass: 2943.56
• IUPAC Name: 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine
• SMILES: CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1ccccc12.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2ccc3ccc(-c4ccccc4)nc3c2n1.CC(C)(C)c1ccc2ccc3cccnc3c2n1.CC(C)(C)c1cccc(-c2cccc3c2sc2ccccc23)c1.CC(C)(C)c1cccc(-c2ccccn2)n1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc2ccccc2n1-c1ccccc1.CCc1nc2ccccc2n1C(C)(C)C
• InChI: InChI=1S/C28H23NO.C22H20N2.C22H21N.C22H20S.C18H18N2.C17H18N2.C16H16N2.C16H16O.C16H16S.C14H16N2.C13H18N2/c1-28(2,3)18-15-16-24-22(17-18)19-9-4-6-12-23(19)29(24)25-13-8-11-21-20-10-5-7-14-26(20)30-27(21)25;1-22(2,3)19-14-12-17-10-9-16-11-13-18(15-7-5-4-6-8-15)23-20(16)21(17)24-19;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-9-6-8-15(14-16)17-11-7-12-19-18-10-4-5-13-20(18)23-21(17)19;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13;1-17(2,3)16-18-14-11-7-8-12-15(14)19(16)13-9-5-4-6-10-13;1-16(2,3)13-9-8-12-7-6-11-5-4-10-17-14(11)15(12)18-13;2*1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-14(2,3)13-9-6-8-12(16-13)11-7-4-5-10-15-11;1-5-12-14-10-8-6-7-9-11(10)15(12)13(2,3)4/h4-17H,1-3H3;4-14H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;2*4-10H,1-3H3;4-10H,1-3H3;6-9H,5H2,1-4H3
• InChIKey: OGPHYRVZZIMTPG-UHFFFAOYSA-N
• XLogP: 56.86
• TPSA: 174.90 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 8
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.09
LogP ≤ 5	56.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine?

The IUPAC name of 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine (CID 159988163) is 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine.

What is the SMILES notation for 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine?

The canonical SMILES for 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cccc2c1oc1ccccc12.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.CC(C)(C)c1ccc2ccc3ccc(-c4ccccc4)nc3c2n1.CC(C)(C)c1ccc2ccc3cccnc3c2n1.CC(C)(C)c1cccc(-c2cccc3c2sc2ccccc23)c1.CC(C)(C)c1cccc(-c2ccccn2)n1.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1nc(-c2ccccc2)c2ccccc2n1.CC(C)(C)c1nc2ccccc2n1-c1ccccc1.CCc1nc2ccccc2n1C(C)(C)C.

What is the InChIKey of 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine?

The InChIKey is OGPHYRVZZIMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO.C22H20N2.C22H21N.C22H20S.C18H18N2.C17H18N2.C16H16N2.C16H16O.C16H16S.C14H16N2.C13H18N2/c1-28(2,3)18-15-16-24-22(17-18)19-9-4-6-12-23(19)29(24)25-13-8-11-21-20-10-5-7-14-26(20)30-27(21)25;1-22(2,3)19-14-12-17-10-9-16-11-13-18(15-7-5-4-6-8-15)23-20(16)21(17)24-19;1-22(2,3)16-13-14-21-19(15-16)18-11-7-8-12-20(18)23(21)17-9-5-4-6-10-17;1-22(2,3)16-9-6-8-15(14-16)17-11-7-12-19-18-10-4-5-13-20(18)23-21(17)19;1-18(2,3)17-19-15-12-8-7-11-14(15)16(20-17)13-9-5-4-6-10-13;1-17(2,3)16-18-14-11-7-8-12-15(14)19(16)13-9-5-4-6-10-13;1-16(2,3)13-9-8-12-7-6-11-5-4-10-17-14(11)15(12)18-13;2*1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-14(2,3)13-9-6-8-12(16-13)11-7-4-5-10-15-11;1-5-12-14-10-8-6-7-9-11(10)15(12)13(2,3)4/h4-17H,1-3H3;4-14H,1-3H3;4-15H,1-3H3;4-14H,1-3H3;4-12H,1-3H3;4-12H,1-3H3;4-10H,1-3H3;2*4-10H,1-3H3;4-10H,1-3H3;6-9H,5H2,1-4H3.

What are the key properties of 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine?

4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine has a molecular weight of 2946.09 g/mol, XLogP of 56.86, 8 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyldibenzofuran;3-tert-butyl-9-dibenzofuran-4-ylcarbazole;4-tert-butyldibenzothiophene;1-tert-butyl-2-ethylbenzimidazole;2-tert-butyl-1,10-phenanthroline;2-tert-butyl-1-phenylbenzimidazole;3-tert-butyl-9-phenylcarbazole;4-(3-tert-butylphenyl)dibenzothiophene;2-tert-butyl-9-phenyl-1,10-phenanthroline;2-tert-butyl-4-phenylquinazoline;2-tert-butyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 159988163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).