3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

C118H72N8O2 — CID 163490374

About 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (PubChem CID 163490374) has the molecular formula C118H72N8O2 and a molecular weight of 1633.93 g/mol. Its IUPAC name is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

Molecular Properties

• Compound Name: 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• PubChem CID: 163490374
• Molecular Formula: C118H72N8O2
• Molecular Weight: 1633.93 g/mol
• Exact Mass: 1632.58
• IUPAC Name: 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)cc3)n2)cc1
• InChI: InChI=1S/2C59H36N4O/c1-4-17-37(18-5-1)40-23-16-24-41(35-40)57-61-56(39-21-8-3-9-22-39)62-58(63-57)42-31-32-45-51(36-42)60-54(38-19-6-2-7-20-38)46-33-34-50-55(53(45)46)64-52-30-15-14-29-49(52)59(50)47-27-12-10-25-43(47)44-26-11-13-28-48(44)59;1-4-16-38(17-5-1)54-46-34-35-50-55(64-52-27-15-14-26-49(52)59(50)47-24-12-10-22-43(47)44-23-11-13-25-48(44)59)53(46)45-33-32-42(36-51(45)60-54)37-28-30-41(31-29-37)58-62-56(39-18-6-2-7-19-39)61-57(63-58)40-20-8-3-9-21-40/h2*1-36H
• InChIKey: CMCCBNZXQXGFON-UHFFFAOYSA-N
• XLogP: 28.75
• TPSA: 121.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1633.93
LogP ≤ 5	28.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The IUPAC name of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] (CID 163490374) is 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene].

What is the SMILES notation for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The canonical SMILES for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6c(c45)Oc4ccccc4C64c5ccccc5-c5ccccc54)cc3)n2)cc1.

What is the InChIKey of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

The InChIKey is CMCCBNZXQXGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H36N4O/c1-4-17-37(18-5-1)40-23-16-24-41(35-40)57-61-56(39-21-8-3-9-22-39)62-58(63-57)42-31-32-45-51(36-42)60-54(38-19-6-2-7-20-38)46-33-34-50-55(53(45)46)64-52-30-15-14-29-49(52)59(50)47-27-12-10-25-43(47)44-26-11-13-28-48(44)59;1-4-16-38(17-5-1)54-46-34-35-50-55(64-52-27-15-14-26-49(52)59(50)47-24-12-10-22-43(47)44-23-11-13-25-48(44)59)53(46)45-33-32-42(36-51(45)60-54)37-28-30-41(31-29-37)58-62-56(39-18-6-2-7-19-39)61-57(63-58)40-20-8-3-9-21-40/h2*1-36H.

What are the key properties of 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene]?

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] has a molecular weight of 1633.93 g/mol, XLogP of 28.75, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylspiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene];6-phenyl-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[chromeno[3,2-k]phenanthridine-9,9'-fluorene] is sourced from PubChem (CID 163490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).