1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene

C115H72S3 — CID 146539717

About 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene

1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene (PubChem CID 146539717) has the molecular formula C115H72S3 and a molecular weight of 1550.04 g/mol. Its IUPAC name is 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene.

Molecular Properties

• Compound Name: 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene
• PubChem CID: 146539717
• Molecular Formula: C115H72S3
• Molecular Weight: 1550.04 g/mol
• Exact Mass: 1548.48
• IUPAC Name: 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene
• SMILES: C=Cc1sc2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4cc(-c5ccc(-c6ccccc6-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccc(-c8ccc(-c9ccccc9-c9c%10ccccc%10c(-c%10cccc%11sc%12ccccc%12c%10%11)c%10ccccc9%10)cc8)cc67)cc5)ccc34)ccc2c1/C=C\C
• InChI: InChI=1S/C115H72S3/c1-3-27-82-84-62-60-78(69-108(84)116-103(82)4-2)110-89-38-15-17-40-91(89)113(86-35-12-8-30-79(86)72-28-6-5-7-29-72)102-67-76(59-64-97(102)110)71-52-56-74(57-53-71)81-32-10-13-36-87(81)114-90-39-16-14-37-88(90)109(77-61-65-106-100(68-77)83-33-22-24-47-104(83)117-106)96-63-58-75(66-101(96)114)70-50-54-73(55-51-70)80-31-9-11-34-85(80)111-92-41-18-20-43-94(92)112(95-44-21-19-42-93(95)111)99-46-26-49-107-115(99)98-45-23-25-48-105(98)118-107/h3-69H,2H2,1H3/b27-3-
• InChIKey: XCTONJPHRXXKGP-MWCIZMGKSA-N
• XLogP: 34.57
• TPSA: 0.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1550.04
LogP ≤ 5	34.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene?

The IUPAC name of 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene (CID 146539717) is 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene.

What is the SMILES notation for 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene?

The canonical SMILES for 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene is C=Cc1sc2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4cc(-c5ccc(-c6ccccc6-c6c7ccccc7c(-c7ccc8sc9ccccc9c8c7)c7ccc(-c8ccc(-c9ccccc9-c9c%10ccccc%10c(-c%10cccc%11sc%12ccccc%12c%10%11)c%10ccccc9%10)cc8)cc67)cc5)ccc34)ccc2c1/C=C\C.

What is the InChIKey of 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene?

The InChIKey is XCTONJPHRXXKGP-MWCIZMGKSA-N. The full InChI is InChI=1S/C115H72S3/c1-3-27-82-84-62-60-78(69-108(84)116-103(82)4-2)110-89-38-15-17-40-91(89)113(86-35-12-8-30-79(86)72-28-6-5-7-29-72)102-67-76(59-64-97(102)110)71-52-56-74(57-53-71)81-32-10-13-36-87(81)114-90-39-16-14-37-88(90)109(77-61-65-106-100(68-77)83-33-22-24-47-104(83)117-106)96-63-58-75(66-101(96)114)70-50-54-73(55-51-70)80-31-9-11-34-85(80)111-92-41-18-20-43-94(92)112(95-44-21-19-42-93(95)111)99-46-26-49-107-115(99)98-45-23-25-48-105(98)118-107/h3-69H,2H2,1H3/b27-3-.

What are the key properties of 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene?

1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene has a molecular weight of 1550.04 g/mol, XLogP of 34.57, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 146539717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).