23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene

C48H31N5 — CID 90267453

IUPAC23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ccc5c(ccn5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C48H31N5/c1-5-15-32(16-6-1)41-31-42(33-17-7-2-8-18-33)50-48(49-41)53-46-29-39-36-23-13-14-24-44(36)52(35-21-11-4-12-22-35)45(39)30-40(46)37-25-26-43-38(47(37)53)27-28-51(43)34-19-9-3-10-20-34/h1-31H
InChIKeyPTBCNJBFVMENBM-UHFFFAOYSA-N
MW677.81 g/mol
LogP11.95
Rot. Bonds5

About 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene

23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene (PubChem CID 90267453) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene.

Molecular Properties

Compound Name23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
PubChem CID90267453
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ccc5c(ccn5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C48H31N5/c1-5-15-32(16-6-1)41-31-42(33-17-7-2-8-18-33)50-48(49-41)53-46-29-39-36-23-13-14-24-44(36)52(35-21-11-4-12-22-35)45(39)30-40(46)37-25-26-43-38(47(37)53)27-28-51(43)34-19-9-3-10-20-34/h1-31H
InChIKeyPTBCNJBFVMENBM-UHFFFAOYSA-N
XLogP11.95
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene with MolForge

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Related Compounds

14-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267426
14-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-10,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267242
23-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene
CID 90267315
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
N-[4-(10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaen-23-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90267456
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-14,19-diphenyl-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267450
3-phenyl-10-[9-(3-phenylphenyl)carbazol-3-yl]pyrrolo[3,2-a]carbazole
CID 144815931
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
10,19-diphenyl-14-(5-phenyl-2-pyridinyl)-10,14,19-triazahexacyclo[11.10.0.03,11.04,9.015,23.016,20]tricosa-1(13),2,4,6,8,11,15(23),16(20),17,21-decaene
CID 90267349
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 159556632
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The IUPAC name of 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene (CID 90267453) is 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene.
What is the SMILES notation for 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The canonical SMILES for 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c6ccccc6n(-c6ccccc6)c5cc4c4ccc5c(ccn5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
The InChIKey is PTBCNJBFVMENBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c1-5-15-32(16-6-1)41-31-42(33-17-7-2-8-18-33)50-48(49-41)53-46-29-39-36-23-13-14-24-44(36)52(35-21-11-4-12-22-35)45(39)30-40(46)37-25-26-43-38(47(37)53)27-28-51(43)34-19-9-3-10-20-34/h1-31H.
What are the key properties of 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene?
23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene has a molecular weight of 677.81 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenylpyrimidin-2-yl)-10,18-diphenyl-10,18,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.017,21]tricosa-1(13),2,4,6,8,11,14(22),15,17(21),19-decaene is sourced from PubChem (CID 90267453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).