N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline

C167H104F4N12 — CID 161073538

IUPACN-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5ccc2c3c54)cc1.Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccc3c4c65)cc2)c(F)c1F.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc6)ccc6ccc3c4c65)n2)cc1
InChIInChI=1S/C61H39FN4.C57H36N4.C49H29F3N4/c62-55-39-47(40-16-6-1-7-17-40)38-54(41-18-8-2-9-19-41)58(55)66(48-24-14-5-15-25-48)49-32-26-42(27-33-49)50-34-28-43-30-36-52-53(37-31-44-29-35-51(50)56(43)57(44)52)61-64-59(45-20-10-3-11-21-45)63-60(65-61)46-22-12-4-13-23-46;1-3-13-42(14-4-1)55-58-56(43-15-5-2-6-16-43)60-57(59-55)52-34-26-41-24-32-50-49(31-23-40-25-33-51(52)54(41)53(40)50)39-21-27-46(28-22-39)61(47-29-19-37-11-7-9-17-44(37)35-47)48-30-20-38-12-8-10-18-45(38)36-48;50-41-28-29-42(46(52)45(41)51)56(35-14-8-3-9-15-35)36-22-16-30(17-23-36)37-24-18-31-20-26-39-40(27-21-32-19-25-38(37)43(31)44(32)39)49-54-47(33-10-4-1-5-11-33)53-48(55-49)34-12-6-2-7-13-34/h1-39H;1-36H;1-29H
InChIKeyUEYVLFAMNMANCP-UHFFFAOYSA-N
MW2354.74 g/mol
LogP44.92
Rot. Bonds23

About N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline

N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline (PubChem CID 161073538) has the molecular formula C167H104F4N12 and a molecular weight of 2354.74 g/mol. Its IUPAC name is N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline
PubChem CID161073538
Molecular FormulaC167H104F4N12
Molecular Weight2354.74 g/mol
Exact Mass2352.84
IUPAC NameN-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline
SMILESFc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5ccc2c3c54)cc1.Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccc3c4c65)cc2)c(F)c1F.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc6)ccc6ccc3c4c65)n2)cc1
InChIInChI=1S/C61H39FN4.C57H36N4.C49H29F3N4/c62-55-39-47(40-16-6-1-7-17-40)38-54(41-18-8-2-9-19-41)58(55)66(48-24-14-5-15-25-48)49-32-26-42(27-33-49)50-34-28-43-30-36-52-53(37-31-44-29-35-51(50)56(43)57(44)52)61-64-59(45-20-10-3-11-21-45)63-60(65-61)46-22-12-4-13-23-46;1-3-13-42(14-4-1)55-58-56(43-15-5-2-6-16-43)60-57(59-55)52-34-26-41-24-32-50-49(31-23-40-25-33-51(52)54(41)53(40)50)39-21-27-46(28-22-39)61(47-29-19-37-11-7-9-17-44(37)35-47)48-30-20-38-12-8-10-18-45(38)36-48;50-41-28-29-42(46(52)45(41)51)56(35-14-8-3-9-15-35)36-22-16-30(17-23-36)37-24-18-31-20-26-39-40(27-21-32-19-25-38(37)43(31)44(32)39)49-54-47(33-10-4-1-5-11-33)53-48(55-49)34-12-6-2-7-13-34/h1-39H;1-36H;1-29H
InChIKeyUEYVLFAMNMANCP-UHFFFAOYSA-N
XLogP44.92
TPSA125.73 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002354.74
LogP ≤ 544.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline with MolForge

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Related Compounds

CID 159830028
CID 159830028
1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)-1-N-(2-fluorophenyl)-6-N-phenylpyrene-1,6-diamine
CID 90264158
8-N-(2-fluoro-4,6-diphenylphenyl)-1-N,1-N,8-N-triphenylbenzo[l]pyrene-1,8-diamine
CID 118581645
N,2,4-triphenyl-N-[4-(6-phenylpyren-1-yl)phenyl]aniline
CID 118012236
N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
CID 58078248
2-fluoro-N-[4-[6-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)pyren-1-yl]phenyl]-N,4,6-triphenylaniline
CID 90224332
9-(4-carbazol-9-ylphenyl)-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;N,N-diphenyl-4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)aniline;2,3,4-trifluoro-N-phenyl-N-[4-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]aniline
CID 160896470
1-N,6-N-dinaphthalen-2-yl-1-N,6-N,3,8-tetraphenylpyrene-1,6-diamine
CID 58323098
1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis(2-fluoro-4,6-diphenylphenyl)pyrene-1,6-diamine
CID 59357994
1-N,6-N-bis[2-fluoro-3,6-bis(4-phenylphenyl)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59357746
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
N-naphthalen-2-yl-6-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-5-yl)phenyl]-N-phenylpyren-1-amine
CID 155008986

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline?
The IUPAC name of N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline (CID 161073538) is N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline.
What is the SMILES notation for N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline?
The canonical SMILES for N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline is Fc1cc(-c2ccccc2)cc(-c2ccccc2)c1N(c1ccccc1)c1ccc(-c2ccc3ccc4c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc5ccc2c3c54)cc1.Fc1ccc(N(c2ccccc2)c2ccc(-c3ccc4ccc5c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc6ccc3c4c65)cc2)c(F)c1F.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(-c6ccc(N(c7ccc8ccccc8c7)c7ccc8ccccc8c7)cc6)ccc6ccc3c4c65)n2)cc1.
What is the InChIKey of N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline?
The InChIKey is UEYVLFAMNMANCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39FN4.C57H36N4.C49H29F3N4/c62-55-39-47(40-16-6-1-7-17-40)38-54(41-18-8-2-9-19-41)58(55)66(48-24-14-5-15-25-48)49-32-26-42(27-33-49)50-34-28-43-30-36-52-53(37-31-44-29-35-51(50)56(43)57(44)52)61-64-59(45-20-10-3-11-21-45)63-60(65-61)46-22-12-4-13-23-46;1-3-13-42(14-4-1)55-58-56(43-15-5-2-6-16-43)60-57(59-55)52-34-26-41-24-32-50-49(31-23-40-25-33-51(52)54(41)53(40)50)39-21-27-46(28-22-39)61(47-29-19-37-11-7-9-17-44(37)35-47)48-30-20-38-12-8-10-18-45(38)36-48;50-41-28-29-42(46(52)45(41)51)56(35-14-8-3-9-15-35)36-22-16-30(17-23-36)37-24-18-31-20-26-39-40(27-21-32-19-25-38(37)43(31)44(32)39)49-54-47(33-10-4-1-5-11-33)53-48(55-49)34-12-6-2-7-13-34/h1-39H;1-36H;1-29H.
What are the key properties of N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline?
N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline has a molecular weight of 2354.74 g/mol, XLogP of 44.92, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2-fluoro-N,4,6-triphenylaniline;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)pyren-1-yl]phenyl]-2,3,4-trifluoro-N-phenylaniline is sourced from PubChem (CID 161073538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).