N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

C120H72N2O4S2 — CID 170123749

About N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (PubChem CID 170123749) has the molecular formula C120H72N2O4S2 and a molecular weight of 1670.04 g/mol. Its IUPAC name is N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
• PubChem CID: 170123749
• Molecular Formula: C120H72N2O4S2
• Molecular Weight: 1670.04 g/mol
• Exact Mass: 1668.49
• IUPAC Name: N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7sc8ccccc8c67)cc5)c5ccc(-c6ccc(-c7cccc8c7sc7cccc(-c9ccc(N(c%10ccc(-c%11ccc%12oc%13ccccc%13c%12c%11)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)cc9)c78)c7oc8ccccc8c67)cc5)cc4)cc3)c3c2oc2ccccc23)cc1
• InChI: InChI=1S/C120H72N2O4S2/c1-2-18-76(19-3-1)94-69-67-92(116-99-22-6-11-32-106(99)125-118(94)116)77-40-38-73(39-41-77)74-42-55-83(56-43-74)121(86-61-48-79(49-62-86)90-26-16-36-111-114(90)101-24-8-13-35-110(101)127-111)88-65-52-81(53-66-88)93-68-70-96(119-117(93)100-23-7-12-33-107(100)126-119)97-28-14-29-102-115-91(27-17-37-112(115)128-120(97)102)80-50-63-87(64-51-80)122(84-57-44-75(45-58-84)82-54-71-108-103(72-82)95-20-4-9-30-104(95)123-108)85-59-46-78(47-60-85)89-25-15-34-109-113(89)98-21-5-10-31-105(98)124-109/h1-72H
• InChIKey: JMGDXELNQSLIJU-UHFFFAOYSA-N
• XLogP: 35.96
• TPSA: 59.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1670.04
LogP ≤ 5	35.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?

The IUPAC name of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (CID 170123749) is N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.

What is the SMILES notation for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?

The canonical SMILES for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(-c4ccc(N(c5ccc(-c6cccc7sc8ccccc8c67)cc5)c5ccc(-c6ccc(-c7cccc8c7sc7cccc(-c9ccc(N(c%10ccc(-c%11ccc%12oc%13ccccc%13c%12c%11)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)cc9)c78)c7oc8ccccc8c67)cc5)cc4)cc3)c3c2oc2ccccc23)cc1.

What is the InChIKey of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?

The InChIKey is JMGDXELNQSLIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H72N2O4S2/c1-2-18-76(19-3-1)94-69-67-92(116-99-22-6-11-32-106(99)125-118(94)116)77-40-38-73(39-41-77)74-42-55-83(56-43-74)121(86-61-48-79(49-62-86)90-26-16-36-111-114(90)101-24-8-13-35-110(101)127-111)88-65-52-81(53-66-88)93-68-70-96(119-117(93)100-23-7-12-33-107(100)126-119)97-28-14-29-102-115-91(27-17-37-112(115)128-120(97)102)80-50-63-87(64-51-80)122(84-57-44-75(45-58-84)82-54-71-108-103(72-82)95-20-4-9-30-104(95)123-108)85-59-46-78(47-60-85)89-25-15-34-109-113(89)98-21-5-10-31-105(98)124-109/h1-72H.

What are the key properties of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?

N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline has a molecular weight of 1670.04 g/mol, XLogP of 35.96, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is sourced from PubChem (CID 170123749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).