9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole

C77H52BrN — CID 159545933

About 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole

9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 159545933) has the molecular formula C77H52BrN and a molecular weight of 1071.17 g/mol. Its IUPAC name is 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 159545933
• Molecular Formula: C77H52BrN
• Molecular Weight: 1071.17 g/mol
• Exact Mass: 1069.33
• IUPAC Name: 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: Brc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)cc1.c1ccc2c(c1)Cc1ccccc1-2
• InChI: InChI=1S/C38H25N.C26H17Br.C13H10/c1-2-13-26(14-3-1)37-31-19-4-6-21-33(31)38(34-22-7-5-20-32(34)37)27-15-12-16-28(25-27)39-35-23-10-8-17-29(35)30-18-9-11-24-36(30)39;27-20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-25H;1-17H;1-8H,9H2
• InChIKey: MEUKPKLAAFJZJL-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.17
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 159545933) is 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole is Brc1cccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)cc1.c1ccc2c(c1)Cc1ccccc1-2.

What is the InChIKey of 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is MEUKPKLAAFJZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N.C26H17Br.C13H10/c1-2-13-26(14-3-1)37-31-19-4-6-21-33(31)38(34-22-7-5-20-32(34)37)27-15-12-16-28(25-27)39-35-23-10-8-17-29(35)30-18-9-11-24-36(30)39;27-20-12-8-11-19(17-20)26-23-15-6-4-13-21(23)25(18-9-2-1-3-10-18)22-14-5-7-16-24(22)26;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-25H;1-17H;1-8H,9H2.

What are the key properties of 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole?

9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1071.17 g/mol, XLogP of 21.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 159545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).