8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

C67H43NOS — CID 176759756

About 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (PubChem CID 176759756) has the molecular formula C67H43NOS and a molecular weight of 910.15 g/mol. Its IUPAC name is 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
• PubChem CID: 176759756
• Molecular Formula: C67H43NOS
• Molecular Weight: 910.15 g/mol
• Exact Mass: 909.31
• IUPAC Name: 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc(C3(c4cccc(N(c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c5cccc6oc7ccc(-c8ccccc8)cc7c56)c4)c4ccccc4-c4ccccc43)cc2)cc1
• InChI: InChI=1S/C67H43NOS/c1-4-17-44(18-5-1)46-33-36-49(37-34-46)67(58-28-12-10-25-54(58)55-26-11-13-29-59(55)67)50-23-14-24-51(42-50)68(52-38-40-63-57(43-52)65-53(27-15-32-64(65)70-63)47-21-8-3-9-22-47)60-30-16-31-62-66(60)56-41-48(35-39-61(56)69-62)45-19-6-2-7-20-45/h1-43H
• InChIKey: PYBCUDPMIHWZCO-UHFFFAOYSA-N
• XLogP: 18.79
• TPSA: 16.38 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	910.15
LogP ≤ 5	18.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?

The IUPAC name of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (CID 176759756) is 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

What is the SMILES notation for 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?

The canonical SMILES for 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(C3(c4cccc(N(c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c5cccc6oc7ccc(-c8ccccc8)cc7c56)c4)c4ccccc4-c4ccccc43)cc2)cc1.

What is the InChIKey of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?

The InChIKey is PYBCUDPMIHWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NOS/c1-4-17-44(18-5-1)46-33-36-49(37-34-46)67(58-28-12-10-25-54(58)55-26-11-13-29-59(55)67)50-23-14-24-51(42-50)68(52-38-40-63-57(43-52)65-53(27-15-32-64(65)70-63)47-21-8-3-9-22-47)60-30-16-31-62-66(60)56-41-48(35-39-61(56)69-62)45-19-6-2-7-20-45/h1-43H.

What are the key properties of 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?

8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 910.15 g/mol, XLogP of 18.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).