2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum

C50H42N3OPt- — CID 166511882

IUPAC2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1ccc2c(c1)C(c1[c-]c(-c3ncc4cc5ccccc5cc4n3)ccc1)(c1cccc(-c3ccccc3O)n1)c1cc(C(C)(C)C)ccc1-2.[Pt]
InChIInChI=1S/C50H42N3O.Pt/c1-48(2,3)35-21-23-38-39-24-22-36(49(4,5)6)29-42(39)50(41(38)28-35,46-20-12-18-43(52-46)40-17-9-10-19-45(40)54)37-16-11-15-33(26-37)47-51-30-34-25-31-13-7-8-14-32(31)27-44(34)53-47;/h7-25,27-30,54H,1-6H3;/q-1;
InChIKeyCOOCNGVFVJVMLV-UHFFFAOYSA-N
MW895.98 g/mol
LogP11.97
Rot. Bonds4

About 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum

2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum (PubChem CID 166511882) has the molecular formula C50H42N3OPt- and a molecular weight of 895.98 g/mol. Its IUPAC name is 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

Compound Name2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum
PubChem CID166511882
Molecular FormulaC50H42N3OPt-
Molecular Weight895.98 g/mol
Exact Mass895.30
IUPAC Name2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum
SMILESCC(C)(C)c1ccc2c(c1)C(c1[c-]c(-c3ncc4cc5ccccc5cc4n3)ccc1)(c1cccc(-c3ccccc3O)n1)c1cc(C(C)(C)C)ccc1-2.[Pt]
InChIInChI=1S/C50H42N3O.Pt/c1-48(2,3)35-21-23-38-39-24-22-36(49(4,5)6)29-42(39)50(41(38)28-35,46-20-12-18-43(52-46)40-17-9-10-19-45(40)54)37-16-11-15-33(26-37)47-51-30-34-25-31-13-7-8-14-32(31)27-44(34)53-47;/h7-25,27-30,54H,1-6H3;/q-1;
InChIKeyCOOCNGVFVJVMLV-UHFFFAOYSA-N
XLogP11.97
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.98
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-deuterio-6-[6-[9-(3-quinazolin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511894
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841
2-[6-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511806
2-[4-methoxy-6-[9-(3-quinoxalin-2-ylbenzene-2-id-1-yl)fluoren-9-yl]-2-pyridinyl]phenol;platinum
CID 166511793
platinum;2-[6-[9-[3-([1,2,5]thiadiazolo[3,4-c]pyridin-4-yl)benzene-2-id-1-yl]fluoren-9-yl]-2-pyridinyl]phenol
CID 166511770
2-[6-[9-(3-benzo[f]quinazolin-3-ylphenyl)fluoren-9-yl]-2-pyridinyl]phenol
CID 166511811
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
2-[6-[4-deuterio-7-(3-thieno[3,2-d]pyrimidin-4-ylbenzene-2-id-1-yl)benzo[c]fluoren-7-yl]-2-pyridinyl]phenol;platinum
CID 166511739
CID 163791433
CID 163791433
2-(2,7-ditert-butyl-9-phenylfluoren-9-yl)-6-methylpyridine
CID 140560446
2-[6-[2,7-ditert-butyl-9-[3-(7-cyclohexylfuro[3,2-d]pyrimidin-4-yl)phenyl]fluoren-9-yl]-2-pyridinyl]phenol
CID 166511816
3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-1-[3-[6-[6-(5-tert-butyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136810654

Frequently Asked Questions

What is the IUPAC name of 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum?
The IUPAC name of 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum (CID 166511882) is 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum.
What is the SMILES notation for 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum?
The canonical SMILES for 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum is CC(C)(C)c1ccc2c(c1)C(c1[c-]c(-c3ncc4cc5ccccc5cc4n3)ccc1)(c1cccc(-c3ccccc3O)n1)c1cc(C(C)(C)C)ccc1-2.[Pt].
What is the InChIKey of 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum?
The InChIKey is COOCNGVFVJVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N3O.Pt/c1-48(2,3)35-21-23-38-39-24-22-36(49(4,5)6)29-42(39)50(41(38)28-35,46-20-12-18-43(52-46)40-17-9-10-19-45(40)54)37-16-11-15-33(26-37)47-51-30-34-25-31-13-7-8-14-32(31)27-44(34)53-47;/h7-25,27-30,54H,1-6H3;/q-1;.
What are the key properties of 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum?
2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 895.98 g/mol, XLogP of 11.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[9-(3-benzo[g]quinazolin-2-ylbenzene-2-id-1-yl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 166511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).