6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

C173H106N10S3 — CID 163595765

About 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (PubChem CID 163595765) has the molecular formula C173H106N10S3 and a molecular weight of 2421.02 g/mol. Its IUPAC name is 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

Molecular Properties

• Compound Name: 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• PubChem CID: 163595765
• Molecular Formula: C173H106N10S3
• Molecular Weight: 2421.02 g/mol
• Exact Mass: 2418.78
• IUPAC Name: 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)Sc5ccccc5C75c6ccccc6-c6ccccc65)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)Sc5ccccc5C75c6ccccc6-c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)Sc4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1
• InChI: InChI=1S/2C60H37N3S.C53H32N4S/c1-3-17-38(18-4-1)54-37-55(63-59(62-54)39-19-5-2-6-20-39)42-23-15-21-40(33-42)41-22-16-24-43(34-41)58-48-36-57-52(35-47(48)46-27-9-13-31-53(46)61-58)60(51-30-12-14-32-56(51)64-57)49-28-10-7-25-44(49)45-26-8-11-29-50(45)60;1-3-16-39(17-4-1)54-37-55(63-59(62-54)41-18-5-2-6-19-41)40-32-30-38(31-33-40)42-20-15-21-43(34-42)58-48-36-57-52(35-47(48)46-24-9-13-28-53(46)61-58)60(51-27-12-14-29-56(51)64-57)49-25-10-7-22-44(49)45-23-8-11-26-50(45)60;1-3-16-33(17-4-1)50-55-51(34-18-5-2-6-19-34)57-52(56-50)36-21-15-20-35(30-36)49-41-32-48-45(31-40(41)39-24-9-13-28-46(39)54-49)53(44-27-12-14-29-47(44)58-48)42-25-10-7-22-37(42)38-23-8-11-26-43(38)53/h2*1-37H;1-32H
• InChIKey: GTHFPVCPLLPOGZ-UHFFFAOYSA-N
• XLogP: 43.75
• TPSA: 128.90 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.02
LogP ≤ 5	43.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The IUPAC name of 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (CID 163595765) is 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

What is the SMILES notation for 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The canonical SMILES for 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is c1ccc(-c2cc(-c3ccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)Sc5ccccc5C75c6ccccc6-c6ccccc65)c4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5nc6ccccc6c6cc7c(cc56)Sc5ccccc5C75c6ccccc6-c6ccccc65)c4)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4nc5ccccc5c5cc6c(cc45)Sc4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.

What is the InChIKey of 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The InChIKey is GTHFPVCPLLPOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H37N3S.C53H32N4S/c1-3-17-38(18-4-1)54-37-55(63-59(62-54)39-19-5-2-6-20-39)42-23-15-21-40(33-42)41-22-16-24-43(34-41)58-48-36-57-52(35-47(48)46-27-9-13-31-53(46)61-58)60(51-30-12-14-32-56(51)64-57)49-28-10-7-25-44(49)45-26-8-11-29-50(45)60;1-3-16-39(17-4-1)54-37-55(63-59(62-54)41-18-5-2-6-19-41)40-32-30-38(31-33-40)42-20-15-21-43(34-42)58-48-36-57-52(35-47(48)46-24-9-13-28-53(46)61-58)60(51-27-12-14-29-56(51)64-57)49-25-10-7-22-44(49)45-23-8-11-26-50(45)60;1-3-16-33(17-4-1)50-55-51(34-18-5-2-6-19-34)57-52(56-50)36-21-15-20-35(30-36)49-41-32-48-45(31-40(41)39-24-9-13-28-46(39)54-49)53(44-27-12-14-29-47(44)58-48)42-25-10-7-22-37(42)38-23-8-11-26-43(38)53/h2*1-37H;1-32H.

What are the key properties of 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] has a molecular weight of 2421.02 g/mol, XLogP of 43.75, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6'-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is sourced from PubChem (CID 163595765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).