2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium

C73H60IrN3O2- — CID 161403093

About 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium (PubChem CID 161403093) has the molecular formula C73H60IrN3O2- and a molecular weight of 1203.52 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium.

Molecular Properties

• Compound Name: 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium
• PubChem CID: 161403093
• Molecular Formula: C73H60IrN3O2-
• Molecular Weight: 1203.52 g/mol
• Exact Mass: 1203.43
• IUPAC Name: 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium
• SMILES: CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[Ir]
• InChI: InChI=1S/C51H38N2.C17H14N.C5H8O2.Ir/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-4(6)3-5(2)7;/h3-34H,1-2H3;3-10H,1-2H3;3,6H,1-2H3;/q;-1
• InChIKey: QMNVJAHDMQZZJU-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 58.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1203.52
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium?

The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium (CID 161403093) is 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium.

What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium?

The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium is CC(=O)C=C(C)O.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc21.Cc1[c-]c(-c2ccc3ccccc3n2)cc(C)c1.[Ir].

What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium?

The InChIKey is QMNVJAHDMQZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2.C17H14N.C5H8O2.Ir/c1-51(2)47-19-11-9-17-43(47)44-31-30-42(34-48(44)51)52(40-26-21-36(22-27-40)35-13-5-3-6-14-35)41-28-23-37(24-29-41)38-25-32-50-46(33-38)45-18-10-12-20-49(45)53(50)39-15-7-4-8-16-39;1-12-9-13(2)11-15(10-12)17-8-7-14-5-3-4-6-16(14)18-17;1-4(6)3-5(2)7;/h3-34H,1-2H3;3-10H,1-2H3;3,6H,1-2H3;/q;-1;;.

What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium?

2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium has a molecular weight of 1203.52 g/mol, XLogP of 19.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;4-hydroxypent-3-en-2-one;iridium is sourced from PubChem (CID 161403093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).