methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C194H139N3OS2 — CID 159961913

About methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 159961913) has the molecular formula C194H139N3OS2 and a molecular weight of 2592.40 g/mol. Its IUPAC name is methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• PubChem CID: 159961913
• Molecular Formula: C194H139N3OS2
• Molecular Weight: 2592.40 g/mol
• Exact Mass: 2590.04
• IUPAC Name: methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
• SMILES: C.C.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-c6ccc7sc8ccc(-c9ccccc9)cc8c7c6)c5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c2)cc1
• InChI: InChI=1S/C66H45NO.C66H45NS.C60H41NS.2CH4/c2*1-4-15-46(16-5-1)52-21-10-23-54(43-52)48-31-37-58(38-32-48)67(59-39-33-49(34-40-59)55-24-11-22-53(44-55)47-17-6-2-7-18-47)60-41-35-50(36-42-60)56-25-12-26-57(45-56)62-28-14-30-64-63-29-13-27-61(65(63)68-66(62)64)51-19-8-3-9-20-51;1-4-11-42(12-5-1)45-19-21-46(22-20-45)48-25-33-55(34-26-48)61(54-31-23-47(24-32-54)43-13-6-2-7-14-43)56-35-27-49(28-36-56)50-17-10-18-51(39-50)53-30-38-60-58(41-53)57-40-52(29-37-59(57)62-60)44-15-8-3-9-16-44;;/h2*1-45H;1-41H;2*1H4
• InChIKey: ODLCLRQYGXYDLS-UHFFFAOYSA-N
• XLogP: 56.72
• TPSA: 22.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 29
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2592.40
LogP ≤ 5	56.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The IUPAC name of methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 159961913) is methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

What is the SMILES notation for methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The canonical SMILES for methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is C.C.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc(-c6ccc7sc8ccc(-c9ccccc9)cc8c7c6)c5)cc4)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(N(c4ccc(-c5cccc(-c6ccccc6)c5)cc4)c4ccc(-c5cccc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)c5)cc4)cc3)c2)cc1.

What is the InChIKey of methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

The InChIKey is ODLCLRQYGXYDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO.C66H45NS.C60H41NS.2CH4/c2*1-4-15-46(16-5-1)52-21-10-23-54(43-52)48-31-37-58(38-32-48)67(59-39-33-49(34-40-59)55-24-11-22-53(44-55)47-17-6-2-7-18-47)60-41-35-50(36-42-60)56-25-12-26-57(45-56)62-28-14-30-64-63-29-13-27-61(65(63)68-66(62)64)51-19-8-3-9-20-51;1-4-11-42(12-5-1)45-19-21-46(22-20-45)48-25-33-55(34-26-48)61(54-31-23-47(24-32-54)43-13-6-2-7-14-43)56-35-27-49(28-36-56)50-17-10-18-51(39-50)53-30-38-60-58(41-53)57-40-52(29-37-59(57)62-60)44-15-8-3-9-16-44;;/h2*1-45H;1-41H;2*1H4.

What are the key properties of methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?

methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 2592.40 g/mol, XLogP of 56.72, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;4-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N,N-bis[4-(3-phenylphenyl)phenyl]aniline;4-phenyl-N-[4-[3-(8-phenyldibenzothiophen-2-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 159961913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).