7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine

C117H76N2OS2 — CID 135277639

About 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine

7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine (PubChem CID 135277639) has the molecular formula C117H76N2OS2 and a molecular weight of 1590.04 g/mol. Its IUPAC name is 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine
• PubChem CID: 135277639
• Molecular Formula: C117H76N2OS2
• Molecular Weight: 1590.04 g/mol
• Exact Mass: 1588.54
• IUPAC Name: 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(oc6ccccc65)c4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c5ccc(-c6cccc(-c7ccc(N(c8ccc(-c9cc%10sc%11ccccc%11c%10cc9-c9ccccc9)cc8)c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)cc7)c6)cc5c5ccccc5c4c3)cc21
• InChI: InChI=1S/C117H76N2OS2/c1-117(2)108-35-15-11-29-96(108)97-64-61-89(70-109(97)117)119(87-54-45-77(46-55-87)90-65-66-101-98-30-12-16-36-110(98)120-115(101)114(90)80-41-39-74(40-42-80)73-21-5-3-6-22-73)88-60-63-95-94-62-51-83(68-105(94)92-27-9-10-28-93(92)106(95)69-88)82-26-19-25-81(67-82)75-43-52-84(53-44-75)118(85-56-47-78(48-57-85)91-33-20-34-102-99-31-13-18-38-112(99)122-116(91)102)86-58-49-79(50-59-86)104-72-113-107(100-32-14-17-37-111(100)121-113)71-103(104)76-23-7-4-8-24-76/h3-72H,1-2H3
• InChIKey: QTBFMFBJLOJKKZ-UHFFFAOYSA-N
• XLogP: 34.36
• TPSA: 19.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1590.04
LogP ≤ 5	34.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine?

The IUPAC name of 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine (CID 135277639) is 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine.

What is the SMILES notation for 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine?

The canonical SMILES for 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(oc6ccccc65)c4-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c5ccc(-c6cccc(-c7ccc(N(c8ccc(-c9cc%10sc%11ccccc%11c%10cc9-c9ccccc9)cc8)c8ccc(-c9cccc%10c9sc9ccccc9%10)cc8)cc7)c6)cc5c5ccccc5c4c3)cc21.

What is the InChIKey of 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine?

The InChIKey is QTBFMFBJLOJKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H76N2OS2/c1-117(2)108-35-15-11-29-96(108)97-64-61-89(70-109(97)117)119(87-54-45-77(46-55-87)90-65-66-101-98-30-12-16-36-110(98)120-115(101)114(90)80-41-39-74(40-42-80)73-21-5-3-6-22-73)88-60-63-95-94-62-51-83(68-105(94)92-27-9-10-28-93(92)106(95)69-88)82-26-19-25-81(67-82)75-43-52-84(53-44-75)118(85-56-47-78(48-57-85)91-33-20-34-102-99-31-13-18-38-112(99)122-116(91)102)86-58-49-79(50-59-86)104-72-113-107(100-32-14-17-37-111(100)121-113)71-103(104)76-23-7-4-8-24-76/h3-72H,1-2H3.

What are the key properties of 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine?

7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine has a molecular weight of 1590.04 g/mol, XLogP of 34.36, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine is sourced from PubChem (CID 135277639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).