2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane

C108H72AlN5O3S2 — CID 157297227

About 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane

2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane (PubChem CID 157297227) has the molecular formula C108H72AlN5O3S2 and a molecular weight of 1578.91 g/mol. Its IUPAC name is 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane.

Molecular Properties

• Compound Name: 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
• PubChem CID: 157297227
• Molecular Formula: C108H72AlN5O3S2
• Molecular Weight: 1578.91 g/mol
• Exact Mass: 1577.49
• IUPAC Name: 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane
• SMILES: C.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3cc(-c4cccc5c4sc4ccccc45)ccc3c3ccc(-c4cccc5c4sc4ccccc45)cc32)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
• InChI: InChI=1S/C42H25NS2.C38H25N.3C9H7NO.CH4.Al/c1-2-10-28(11-3-1)43-37-24-26(29-14-8-16-35-33-12-4-6-18-39(33)44-41(29)35)20-22-31(37)32-23-21-27(25-38(32)43)30-15-9-17-36-34-13-5-7-19-40(34)45-42(30)36;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-25H;1-25H;3*1-6,11H;1H4;/q;;;;;;+3/p-3
• InChIKey: BBMFHUPEKGNTCZ-UHFFFAOYSA-K
• XLogP: 29.77
• TPSA: 76.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.91
LogP ≤ 5	29.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?

The IUPAC name of 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane (CID 157297227) is 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane.

What is the SMILES notation for 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?

The canonical SMILES for 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane is C.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-n2c3cc(-c4cccc5c4sc4ccccc45)ccc3c3ccc(-c4cccc5c4sc4ccccc45)cc32)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.

What is the InChIKey of 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?

The InChIKey is BBMFHUPEKGNTCZ-UHFFFAOYSA-K. The full InChI is InChI=1S/C42H25NS2.C38H25N.3C9H7NO.CH4.Al/c1-2-10-28(11-3-1)43-37-24-26(29-14-8-16-35-33-12-4-6-18-39(33)44-41(29)35)20-22-31(37)32-23-21-27(25-38(32)43)30-15-9-17-36-34-13-5-7-19-40(34)45-42(30)36;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h1-25H;1-25H;3*1-6,11H;1H4;/q;;;;;;+3/p-3.

What are the key properties of 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane?

2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane has a molecular weight of 1578.91 g/mol, XLogP of 29.77, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-di(dibenzothiophen-4-yl)-9-phenylcarbazole;methane;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).