6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

C130H92BBrN8O2 — CID 157385917

IUPAC6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8cc9ccccc9cc78)cc6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4.C45H30BrN3.C23H22BNO2/c1-3-12-41(13-4-1)43-24-32-48(33-25-43)60-64-61(49-34-26-44(27-35-49)42-14-5-2-6-15-42)66-62(65-60)50-36-28-46(29-37-50)52-19-11-18-51(38-52)45-22-30-47(31-23-45)59-57-40-54-17-8-7-16-53(54)39-56(57)55-20-9-10-21-58(55)63-59;46-42-28-26-36(27-29-42)41-13-7-12-40(30-41)35-18-24-39(25-19-35)45-48-43(37-20-14-33(15-21-37)31-8-3-1-4-9-31)47-44(49-45)38-22-16-34(17-23-38)32-10-5-2-6-11-32;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-40H;1-30H;5-14H,1-4H3
InChIKeyBLKSGEUTYJVKOK-UHFFFAOYSA-N
MW1888.94 g/mol
LogP33.21
Rot. Bonds16

About 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine

6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (PubChem CID 157385917) has the molecular formula C130H92BBrN8O2 and a molecular weight of 1888.94 g/mol. Its IUPAC name is 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
PubChem CID157385917
Molecular FormulaC130H92BBrN8O2
Molecular Weight1888.94 g/mol
Exact Mass1886.66
IUPAC Name6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine
SMILESBrc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8cc9ccccc9cc78)cc6)c5)cc4)n3)cc2)cc1
InChIInChI=1S/C62H40N4.C45H30BrN3.C23H22BNO2/c1-3-12-41(13-4-1)43-24-32-48(33-25-43)60-64-61(49-34-26-44(27-35-49)42-14-5-2-6-15-42)66-62(65-60)50-36-28-46(29-37-50)52-19-11-18-51(38-52)45-22-30-47(31-23-45)59-57-40-54-17-8-7-16-53(54)39-56(57)55-20-9-10-21-58(55)63-59;46-42-28-26-36(27-29-42)41-13-7-12-40(30-41)35-18-24-39(25-19-35)45-48-43(37-20-14-33(15-21-37)31-8-3-1-4-9-31)47-44(49-45)38-22-16-34(17-23-38)32-10-5-2-6-11-32;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-40H;1-30H;5-14H,1-4H3
InChIKeyBLKSGEUTYJVKOK-UHFFFAOYSA-N
XLogP33.21
TPSA121.58 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001888.94
LogP ≤ 533.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine with MolForge

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Related Compounds

2-[4,4''-Di(2-quinolyl)-1,1':3',1''-terphenyl-5-yl]-4,6-di-p-tolyl-1,3,5-triazine
CID 67356244
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332233
9-[3-(4,6-Dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332323
9-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-quinolin-2-ylphenyl]-6-phenylbenzo[k]phenanthridine
CID 118332325
2-[3-[4,6-Bis(3-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 118582380
8-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665134
6,8-Bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665135
6-[3,5-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665138
8-[4,6-Bis(4-quinolin-2-ylphenyl)-1,3,5-triazin-2-yl]-6-naphthalen-2-ylbenzo[k]phenanthridine
CID 122665259
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665422
6,8-Bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665466
8-(4,6-Diphenyl-1,3,5-triazin-2-yl)-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665730

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The IUPAC name of 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine (CID 157385917) is 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is Brc1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2)cc1.CC1(C)OB(c2nc3ccccc3c3cc4ccccc4cc23)OC1(C)C.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5cccc(-c6ccc(-c7nc8ccccc8c8cc9ccccc9cc78)cc6)c5)cc4)n3)cc2)cc1.
What is the InChIKey of 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
The InChIKey is BLKSGEUTYJVKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4.C45H30BrN3.C23H22BNO2/c1-3-12-41(13-4-1)43-24-32-48(33-25-43)60-64-61(49-34-26-44(27-35-49)42-14-5-2-6-15-42)66-62(65-60)50-36-28-46(29-37-50)52-19-11-18-51(38-52)45-22-30-47(31-23-45)59-57-40-54-17-8-7-16-53(54)39-56(57)55-20-9-10-21-58(55)63-59;46-42-28-26-36(27-29-42)41-13-7-12-40(30-41)35-18-24-39(25-19-35)45-48-43(37-20-14-33(15-21-37)31-8-3-1-4-9-31)47-44(49-45)38-22-16-34(17-23-38)32-10-5-2-6-11-32;1-22(2)23(3,4)27-24(26-22)21-19-14-16-10-6-5-9-15(16)13-18(19)17-11-7-8-12-20(17)25-21/h1-40H;1-30H;5-14H,1-4H3.
What are the key properties of 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine?
6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine has a molecular weight of 1888.94 g/mol, XLogP of 33.21, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[j]phenanthridine;2-[4-[3-(4-bromophenyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 157385917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).