2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

C98H63BrN10 — CID 161280633

IUPAC2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESBrc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cnc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(ncc5c6ccccc6[nH]c54)c32)cc1
InChIInChI=1S/C49H31N5.C27H17N3.C22H15BrN2/c1-4-15-32(16-5-1)42-30-43(33-17-6-2-7-18-33)52-49(51-42)34-19-14-22-36(29-34)54-45-26-13-11-24-38(45)41-31-50-46-40(47(41)54)28-27-39-37-23-10-12-25-44(37)53(48(39)46)35-20-8-3-9-21-35;1-2-8-17(9-3-1)30-24-13-7-5-11-19(24)20-14-15-21-25-22(16-28-26(21)27(20)30)18-10-4-6-12-23(18)29-25;23-19-13-7-12-18(14-19)22-24-20(16-8-3-1-4-9-16)15-21(25-22)17-10-5-2-6-11-17/h1-31H;1-16,29H;1-15H
InChIKeyVFANHICNLXMFBB-UHFFFAOYSA-N
MW1460.56 g/mol
LogP25.43
Rot. Bonds9

About 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (PubChem CID 161280633) has the molecular formula C98H63BrN10 and a molecular weight of 1460.56 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
PubChem CID161280633
Molecular FormulaC98H63BrN10
Molecular Weight1460.56 g/mol
Exact Mass1458.44
IUPAC Name2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESBrc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cnc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(ncc5c6ccccc6[nH]c54)c32)cc1
InChIInChI=1S/C49H31N5.C27H17N3.C22H15BrN2/c1-4-15-32(16-5-1)42-30-43(33-17-6-2-7-18-33)52-49(51-42)34-19-14-22-36(29-34)54-45-26-13-11-24-38(45)41-31-50-46-40(47(41)54)28-27-39-37-23-10-12-25-44(37)53(48(39)46)35-20-8-3-9-21-35;1-2-8-17(9-3-1)30-24-13-7-5-11-19(24)20-14-15-21-25-22(16-28-26(21)27(20)30)18-10-4-6-12-23(18)29-25;23-19-13-7-12-18(14-19)22-24-20(16-8-3-1-4-9-16)15-21(25-22)17-10-5-2-6-11-17/h1-31H;1-16,29H;1-15H
InChIKeyVFANHICNLXMFBB-UHFFFAOYSA-N
XLogP25.43
TPSA107.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001460.56
LogP ≤ 525.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene with MolForge

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Related Compounds

2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole
CID 159027944
9-[3-[2-(3-bromophenyl)-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632895
2-(3-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;2,3-diphenyl-10H-pyrrolo[3,2-a]carbazole;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 159800613
15-(3,5-diphenylphenyl)-3-phenyl-3,11,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
CID 118506333
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaene
CID 122465672
9-[3-[4-(3-bromophenyl)-6-(3-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 141480105
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
19-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.020,25]octacosa-1(17),2,4,6,8,11,13,15,18(26),20,22,24,27-tridecaene
CID 90433000
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-25-phenyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
CID 144696794
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 161100572
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;18-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene;27-phenyl-9-oxa-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene
CID 158694720

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The IUPAC name of 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (CID 161280633) is 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The canonical SMILES for 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is Brc1cccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cnc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c54)c3)n2)cc1.c1ccc(-n2c3ccccc3c3ccc4c(ncc5c6ccccc6[nH]c54)c32)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The InChIKey is VFANHICNLXMFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5.C27H17N3.C22H15BrN2/c1-4-15-32(16-5-1)42-30-43(33-17-6-2-7-18-33)52-49(51-42)34-19-14-22-36(29-34)54-45-26-13-11-24-38(45)41-31-50-46-40(47(41)54)28-27-39-37-23-10-12-25-44(37)53(48(39)46)35-20-8-3-9-21-35;1-2-8-17(9-3-1)30-24-13-7-5-11-19(24)20-14-15-21-25-22(16-28-26(21)27(20)30)18-10-4-6-12-23(18)29-25;23-19-13-7-12-18(14-19)22-24-20(16-8-3-1-4-9-16)15-21(25-22)17-10-5-2-6-11-17/h1-31H;1-16,29H;1-15H.
What are the key properties of 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 1460.56 g/mol, XLogP of 25.43, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,6-diphenylpyrimidine;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene;15-phenyl-3,12,15-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 161280633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).