6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole

C64H41F2N7O — CID 168802704

IUPAC6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc6ccn(-c7ccccc7)c6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C64H41F2N7O/c1-64(47-15-7-3-8-16-47)55-20-12-11-19-52(55)53-34-27-44(39-57(53)74-64)51-33-28-45(37-54(51)63-71-58(41-13-5-2-6-14-41)67-60(72-63)43-25-31-49(66)32-26-43)61-68-59(42-23-29-48(65)30-24-42)69-62(70-61)46-22-21-40-35-36-73(56(40)38-46)50-17-9-4-10-18-50/h2-39H,1H3
InChIKeyLENOSPCEAIWLBB-UHFFFAOYSA-N
MW962.08 g/mol
LogP15.27
Rot. Bonds9

About 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole

6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole (PubChem CID 168802704) has the molecular formula C64H41F2N7O and a molecular weight of 962.08 g/mol. Its IUPAC name is 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole.

Molecular Properties

Compound Name6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole
PubChem CID168802704
Molecular FormulaC64H41F2N7O
Molecular Weight962.08 g/mol
Exact Mass961.33
IUPAC Name6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole
SMILESCC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc6ccn(-c7ccccc7)c6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21
InChIInChI=1S/C64H41F2N7O/c1-64(47-15-7-3-8-16-47)55-20-12-11-19-52(55)53-34-27-44(39-57(53)74-64)51-33-28-45(37-54(51)63-71-58(41-13-5-2-6-14-41)67-60(72-63)43-25-31-49(66)32-26-43)61-68-59(42-23-29-48(65)30-24-42)69-62(70-61)46-22-21-40-35-36-73(56(40)38-46)50-17-9-4-10-18-50/h2-39H,1H3
InChIKeyLENOSPCEAIWLBB-UHFFFAOYSA-N
XLogP15.27
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.08
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole?
The IUPAC name of 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole (CID 168802704) is 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole.
What is the SMILES notation for 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole?
The canonical SMILES for 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole is CC1(c2ccccc2)Oc2cc(-c3ccc(-c4nc(-c5ccc(F)cc5)nc(-c5ccc6ccn(-c7ccccc7)c6c5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccc(F)cc4)n3)ccc2-c2ccccc21.
What is the InChIKey of 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole?
The InChIKey is LENOSPCEAIWLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41F2N7O/c1-64(47-15-7-3-8-16-47)55-20-12-11-19-52(55)53-34-27-44(39-57(53)74-64)51-33-28-45(37-54(51)63-71-58(41-13-5-2-6-14-41)67-60(72-63)43-25-31-49(66)32-26-43)61-68-59(42-23-29-48(65)30-24-42)69-62(70-61)46-22-21-40-35-36-73(56(40)38-46)50-17-9-4-10-18-50/h2-39H,1H3.
What are the key properties of 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole?
6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole has a molecular weight of 962.08 g/mol, XLogP of 15.27, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenyl)-6-[3-[4-(4-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-(6-methyl-6-phenylbenzo[c]chromen-3-yl)phenyl]-1,3,5-triazin-2-yl]-1-phenylindole is sourced from PubChem (CID 168802704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).