2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol

C184H148N8O6S — CID 157086861

About 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol

2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 157086861) has the molecular formula C184H148N8O6S and a molecular weight of 2599.32 g/mol. Its IUPAC name is 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

• Compound Name: 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
• PubChem CID: 157086861
• Molecular Formula: C184H148N8O6S
• Molecular Weight: 2599.32 g/mol
• Exact Mass: 2597.12
• IUPAC Name: 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccccc3O)nc3c2ccc2ccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)cc23)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccccc3O)nc3c2ccc2ccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)cc23)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccccc2O)nc2c1ccc1ccc(C3(c4ccccn4)c4ccccc4Oc4ccccc43)cc12.Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)n1
• InChI: InChI=1S/C51H44N2O2.C51H44N2OS.C41H32N2O2.C41H28N2O/c2*1-49(2,3)35-27-33(28-36(29-35)50(4,5)6)39-31-43(38-15-7-10-18-44(38)54)53-48-37(39)25-23-32-22-24-34(30-40(32)48)51(47-21-13-14-26-52-47)41-16-8-11-19-45(41)55-46-20-12-9-17-42(46)51;1-40(2,3)33-25-34(29-12-4-7-15-35(29)44)43-39-28(33)22-20-26-19-21-27(24-30(26)39)41(38-18-10-11-23-42-38)31-13-5-8-16-36(31)45-37-17-9-6-14-32(37)41;44-39-22-9-6-19-34(39)38-27-30(28-13-2-1-3-14-28)26-37(43-38)29-15-12-16-31(25-29)41(40-23-10-11-24-42-40)35-20-7-4-17-32(35)33-18-5-8-21-36(33)41/h2*7-31,54H,1-6H3;4-25,44H,1-3H3;1-27,44H
• InChIKey: AEEOYKZZAXEMOZ-UHFFFAOYSA-N
• XLogP: 45.66
• TPSA: 202.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2599.32
LogP ≤ 5	45.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The IUPAC name of 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol (CID 157086861) is 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol.

What is the SMILES notation for 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The canonical SMILES for 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol is CC(C)(C)c1cc(-c2cc(-c3ccccc3O)nc3c2ccc2ccc(C4(c5ccccn5)c5ccccc5Oc5ccccc54)cc23)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cc(-c3ccccc3O)nc3c2ccc2ccc(C4(c5ccccn5)c5ccccc5Sc5ccccc54)cc23)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2ccccc2O)nc2c1ccc1ccc(C3(c4ccccn4)c4ccccc4Oc4ccccc43)cc12.Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(C3(c4ccccn4)c4ccccc4-c4ccccc43)c2)n1.

What is the InChIKey of 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

The InChIKey is AEEOYKZZAXEMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H44N2O2.C51H44N2OS.C41H32N2O2.C41H28N2O/c2*1-49(2,3)35-27-33(28-36(29-35)50(4,5)6)39-31-43(38-15-7-10-18-44(38)54)53-48-37(39)25-23-32-22-24-34(30-40(32)48)51(47-21-13-14-26-52-47)41-16-8-11-19-45(41)55-46-20-12-9-17-42(46)51;1-40(2,3)33-25-34(29-12-4-7-15-35(29)44)43-39-28(33)22-20-26-19-21-27(24-30(26)39)41(38-18-10-11-23-42-38)31-13-5-8-16-36(31)45-37-17-9-6-14-32(37)41;44-39-22-9-6-19-34(39)38-27-30(28-13-2-1-3-14-28)26-37(43-38)29-15-12-16-31(25-29)41(40-23-10-11-24-42-40)35-20-7-4-17-32(35)33-18-5-8-21-36(33)41/h2*7-31,54H,1-6H3;4-25,44H,1-3H3;1-27,44H.

What are the key properties of 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol?

2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 2599.32 g/mol, XLogP of 45.66, 16 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-tert-butyl-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylthioxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-(3,5-ditert-butylphenyl)-9-(9-pyridin-2-ylxanthen-9-yl)benzo[h]quinolin-2-yl]phenol;2-[4-phenyl-6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 157086861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).