2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

C120H74N6S2 — CID 163568769

About 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]

2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (PubChem CID 163568769) has the molecular formula C120H74N6S2 and a molecular weight of 1664.09 g/mol. Its IUPAC name is 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

Molecular Properties

• Compound Name: 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• PubChem CID: 163568769
• Molecular Formula: C120H74N6S2
• Molecular Weight: 1664.09 g/mol
• Exact Mass: 1662.54
• IUPAC Name: 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5S7)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5S7)c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/2C60H37N3S/c1-4-17-38(18-5-1)41-23-16-24-42(33-41)54-37-55(63-59(62-54)40-21-8-3-9-22-40)43-31-32-53-47(34-43)46-35-52-57(36-48(46)58(61-53)39-19-6-2-7-20-39)64-56-30-15-14-29-51(56)60(52)49-27-12-10-25-44(49)45-26-11-13-28-50(45)60;1-4-16-39(17-5-1)54-37-55(63-59(62-54)42-20-8-3-9-21-42)40-30-28-38(29-31-40)43-32-33-53-47(34-43)46-35-52-57(36-48(46)58(61-53)41-18-6-2-7-19-41)64-56-27-15-14-26-51(56)60(52)49-24-12-10-22-44(49)45-23-11-13-25-50(45)60/h2*1-37H
• InChIKey: FXLDMKJNONWXSO-UHFFFAOYSA-N
• XLogP: 30.68
• TPSA: 77.34 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1664.09
LogP ≤ 5	30.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine]?

The IUPAC name of 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] (CID 163568769) is 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine].

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

The canonical SMILES for 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is c1ccc(-c2cc(-c3ccc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5S7)c5ccccc5-c5ccccc54)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5nc(-c6ccccc6)c6cc7c(cc6c5c4)C4(c5ccccc5S7)c5ccccc5-c5ccccc54)nc(-c4ccccc4)n3)c2)cc1.

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

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

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

2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] has a molecular weight of 1664.09 g/mol, XLogP of 30.68, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6'-phenylspiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine];6'-phenyl-2'-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,13'-thiochromeno[2,3-j]phenanthridine] is sourced from PubChem (CID 163568769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).