4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine

C126H81Br2N12O2P — CID 158275885

IUPAC4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1.O=C(Nc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1
InChIInChI=1S/C50H33N4OP.C38H25BrN4O.C38H23BrN4/c55-56(37-21-9-3-10-22-37,38-23-11-4-12-24-38)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)51-47)50-53-48(35-17-5-1-6-18-35)52-49(54-50)36-19-7-2-8-20-36;39-28-21-19-27(20-22-28)38(44)40-34-18-10-9-17-32(34)31-23-24-33(30-16-8-7-15-29(30)31)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26;39-27-21-19-24(20-22-27)35-32-23-31(28-15-7-8-16-29(28)34(32)30-17-9-10-18-33(30)40-35)38-42-36(25-11-3-1-4-12-25)41-37(43-38)26-13-5-2-6-14-26/h1-33H;1-24H,(H,40,44);1-23H
InChIKeyGJPGBPHMJNPPEJ-UHFFFAOYSA-N
MW1985.90 g/mol
LogP30.90
Rot. Bonds17

About 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine

4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine (PubChem CID 158275885) has the molecular formula C126H81Br2N12O2P and a molecular weight of 1985.90 g/mol. Its IUPAC name is 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine.

Molecular Properties

Compound Name4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine
PubChem CID158275885
Molecular FormulaC126H81Br2N12O2P
Molecular Weight1985.90 g/mol
Exact Mass1982.47
IUPAC Name4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine
SMILESBrc1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1.O=C(Nc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1
InChIInChI=1S/C50H33N4OP.C38H25BrN4O.C38H23BrN4/c55-56(37-21-9-3-10-22-37,38-23-11-4-12-24-38)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)51-47)50-53-48(35-17-5-1-6-18-35)52-49(54-50)36-19-7-2-8-20-36;39-28-21-19-27(20-22-28)38(44)40-34-18-10-9-17-32(34)31-23-24-33(30-16-8-7-15-29(30)31)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26;39-27-21-19-24(20-22-27)35-32-23-31(28-15-7-8-16-29(28)34(32)30-17-9-10-18-33(30)40-35)38-42-36(25-11-3-1-4-12-25)41-37(43-38)26-13-5-2-6-14-26/h1-33H;1-24H,(H,40,44);1-23H
InChIKeyGJPGBPHMJNPPEJ-UHFFFAOYSA-N
XLogP30.90
TPSA187.96 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001985.90
LogP ≤ 530.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine?
The IUPAC name of 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine (CID 158275885) is 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine.
What is the SMILES notation for 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine?
The canonical SMILES for 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine is Brc1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1.O=C(Nc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc12)c1ccc(Br)cc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3ccccc3c3c2cc(-c2nc(-c4ccccc4)nc(-c4ccccc4)n2)c2ccccc23)cc1.
What is the InChIKey of 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine?
The InChIKey is GJPGBPHMJNPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N4OP.C38H25BrN4O.C38H23BrN4/c55-56(37-21-9-3-10-22-37,38-23-11-4-12-24-38)39-31-29-34(30-32-39)47-44-33-43(40-25-13-14-26-41(40)46(44)42-27-15-16-28-45(42)51-47)50-53-48(35-17-5-1-6-18-35)52-49(54-50)36-19-7-2-8-20-36;39-28-21-19-27(20-22-28)38(44)40-34-18-10-9-17-32(34)31-23-24-33(30-16-8-7-15-29(30)31)37-42-35(25-11-3-1-4-12-25)41-36(43-37)26-13-5-2-6-14-26;39-27-21-19-24(20-22-27)35-32-23-31(28-15-7-8-16-29(28)34(32)30-17-9-10-18-33(30)40-35)38-42-36(25-11-3-1-4-12-25)41-37(43-38)26-13-5-2-6-14-26/h1-33H;1-24H,(H,40,44);1-23H.
What are the key properties of 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine?
4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine has a molecular weight of 1985.90 g/mol, XLogP of 30.90, 17 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzamide;6-(4-bromophenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine;6-(4-diphenylphosphorylphenyl)-8-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[k]phenanthridine is sourced from PubChem (CID 158275885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).