2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

C184H127N11 — CID 164966677

IUPAC2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)c(C)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H34N4.C47H31N3.C44H32N2.C41H30N2/c1-4-15-35(16-5-1)46-34-47(36-17-6-2-7-18-36)54-52(53-46)39-19-14-22-41(31-39)56-49-26-13-11-24-43(49)45-33-38(28-30-51(45)56)37-27-29-50-44(32-37)42-23-10-12-25-48(42)55(50)40-20-8-3-9-21-40;1-4-14-32(15-5-1)33-24-26-34(27-25-33)38-28-39(44-31-37-20-10-11-21-41(37)42-22-12-13-23-43(42)44)30-40(29-38)47-49-45(35-16-6-2-7-17-35)48-46(50-47)36-18-8-3-9-19-36;1-29-21-22-37(30(2)23-29)34-24-35(41-27-33-17-9-10-18-38(33)39-19-11-12-20-40(39)41)26-36(25-34)43-28-42(31-13-5-3-6-14-31)45-44(46-43)32-15-7-4-8-16-32;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;1-31H;3-28H,1-2H3;3-26H,1-2H3
InChIKeyCONXGUJIJMCLRE-UHFFFAOYSA-N
MW2492.12 g/mol
LogP47.86
Rot. Bonds21

About 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 164966677) has the molecular formula C184H127N11 and a molecular weight of 2492.12 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID164966677
Molecular FormulaC184H127N11
Molecular Weight2492.12 g/mol
Exact Mass2490.03
IUPAC Name2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)c(C)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H34N4.C47H31N3.C44H32N2.C41H30N2/c1-4-15-35(16-5-1)46-34-47(36-17-6-2-7-18-36)54-52(53-46)39-19-14-22-41(31-39)56-49-26-13-11-24-43(49)45-33-38(28-30-51(45)56)37-27-29-50-44(32-37)42-23-10-12-25-48(42)55(50)40-20-8-3-9-21-40;1-4-14-32(15-5-1)33-24-26-34(27-25-33)38-28-39(44-31-37-20-10-11-21-41(37)42-22-12-13-23-43(42)44)30-40(29-38)47-49-45(35-16-6-2-7-17-35)48-46(50-47)36-18-8-3-9-19-36;1-29-21-22-37(30(2)23-29)34-24-35(41-27-33-17-9-10-18-38(33)39-19-11-12-20-40(39)41)26-36(25-34)43-28-42(31-13-5-3-6-14-31)45-44(46-43)32-15-7-4-8-16-32;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;1-31H;3-28H,1-2H3;3-26H,1-2H3
InChIKeyCONXGUJIJMCLRE-UHFFFAOYSA-N
XLogP47.86
TPSA125.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002492.12
LogP ≤ 547.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine
CID 163717991
3-[9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 158207100
9-[4-[6-(4-carbazol-9-ylphenyl)-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole;3-[2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)pyrimidin-4-yl]-9-phenylcarbazole;9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]-5-(4-phenylphenyl)phenyl]carbazole
CID 159446739
9-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-5-phenanthren-9-ylphenyl]-2-phenylcarbazole
CID 139500970
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
9-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 67678590
9-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]carbazole
CID 67678509
9-[3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole
CID 144649974
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
3-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 67678496
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 164966677) is 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1cc1ccccc1c2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cc4ccccc4c4ccccc34)c2)c(C)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-c4cc5ccccc5c5ccccc45)c3)cc2)cc1.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is CONXGUJIJMCLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C47H31N3.C44H32N2.C41H30N2/c1-4-15-35(16-5-1)46-34-47(36-17-6-2-7-18-36)54-52(53-46)39-19-14-22-41(31-39)56-49-26-13-11-24-43(49)45-33-38(28-30-51(45)56)37-27-29-50-44(32-37)42-23-10-12-25-48(42)55(50)40-20-8-3-9-21-40;1-4-14-32(15-5-1)33-24-26-34(27-25-33)38-28-39(44-31-37-20-10-11-21-41(37)42-22-12-13-23-43(42)44)30-40(29-38)47-49-45(35-16-6-2-7-17-35)48-46(50-47)36-18-8-3-9-19-36;1-29-21-22-37(30(2)23-29)34-24-35(41-27-33-17-9-10-18-38(33)39-19-11-12-20-40(39)41)26-36(25-34)43-28-42(31-13-5-3-6-14-31)45-44(46-43)32-15-7-4-8-16-32;1-41(2)34-20-12-11-19-33(34)39-35(41)25-31-17-9-10-18-32(31)38(39)29-21-23-30(24-22-29)40-42-36(27-13-5-3-6-14-27)26-37(43-40)28-15-7-4-8-16-28/h1-34H;1-31H;3-28H,1-2H3;3-26H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 2492.12 g/mol, XLogP of 47.86, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylbenzo[b]fluoren-5-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(2,4-dimethylphenyl)-5-phenanthren-9-ylphenyl]-2,6-diphenylpyrimidine;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;2-[3-phenanthren-9-yl-5-(4-phenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 164966677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).