6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C60H37N3O — CID 162694279

About 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 162694279) has the molecular formula C60H37N3O and a molecular weight of 815.98 g/mol. Its IUPAC name is 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 162694279
• Molecular Formula: C60H37N3O
• Molecular Weight: 815.98 g/mol
• Exact Mass: 815.29
• IUPAC Name: 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/C60H37N3O/c1-4-16-38(17-5-1)39-28-30-40(31-29-39)52-37-53(63-59(62-52)42-20-8-3-9-21-42)43-32-33-46-54(36-43)61-57(41-18-6-2-7-19-41)47-34-35-51-58(56(46)47)64-55-27-15-14-26-50(55)60(51)48-24-12-10-22-44(48)45-23-11-13-25-49(45)60/h1-37H
• InChIKey: OTLLYWMUYHHBHD-UHFFFAOYSA-N
• XLogP: 14.98
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.98
LogP ≤ 5	14.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 162694279) is 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is OTLLYWMUYHHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O/c1-4-16-38(17-5-1)39-28-30-40(31-29-39)52-37-53(63-59(62-52)42-20-8-3-9-21-42)43-32-33-46-54(36-43)61-57(41-18-6-2-7-19-41)47-34-35-51-58(56(46)47)64-55-27-15-14-26-50(55)60(51)48-24-12-10-22-44(48)45-23-11-13-25-49(45)60/h1-37H.

What are the key properties of 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 815.98 g/mol, XLogP of 14.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 162694279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).