9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole

C76H48N2S — CID 166689866

About 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole

9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole (PubChem CID 166689866) has the molecular formula C76H48N2S and a molecular weight of 1021.30 g/mol. Its IUPAC name is 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole.

Molecular Properties

• Compound Name: 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
• PubChem CID: 166689866
• Molecular Formula: C76H48N2S
• Molecular Weight: 1021.30 g/mol
• Exact Mass: 1020.35
• IUPAC Name: 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
• SMILES: C1=Cc2c(c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3c2-c2cccc3c2sc2cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc23)CC1
• InChI: InChI=1S/C76H48N2S/c1-3-20-50(21-4-1)77-67-36-17-15-24-52(67)65-44-47(39-42-69(65)77)72-55-26-7-9-28-57(55)74(58-29-10-8-27-56(58)72)49-38-41-54-63-34-19-35-64(76(63)79-71(54)46-49)75-61-32-13-11-30-59(61)73(60-31-12-14-33-62(60)75)48-40-43-70-66(45-48)53-25-16-18-37-68(53)78(70)51-22-5-2-6-23-51/h1-11,13-30,32-46H,12,31H2
• InChIKey: FGJBSMJSRCTGBD-UHFFFAOYSA-N
• XLogP: 21.34
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.30
LogP ≤ 5	21.34
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 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole?

The IUPAC name of 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole (CID 166689866) is 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole.

What is the SMILES notation for 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole?

The canonical SMILES for 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole is C1=Cc2c(c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc3c2-c2cccc3c2sc2cc(-c4c5ccccc5c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)ccc23)CC1.

What is the InChIKey of 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole?

The InChIKey is FGJBSMJSRCTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N2S/c1-3-20-50(21-4-1)77-67-36-17-15-24-52(67)65-44-47(39-42-69(65)77)72-55-26-7-9-28-57(55)74(58-29-10-8-27-56(58)72)49-38-41-54-63-34-19-35-64(76(63)79-71(54)46-49)75-61-32-13-11-30-59(61)73(60-31-12-14-33-62(60)75)48-40-43-70-66(45-48)53-25-16-18-37-68(53)78(70)51-22-5-2-6-23-51/h1-11,13-30,32-46H,12,31H2.

What are the key properties of 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole?

9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole has a molecular weight of 1021.30 g/mol, XLogP of 21.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole is sourced from PubChem (CID 166689866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).