22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene

C49H31N5 — CID 137146113

IUPAC22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
SMILESc1ccc(C2=NC(c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)=NC(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C49H31N5/c1-2-13-31(14-3-1)47-50-48(33-23-22-30-12-4-5-15-32(30)28-33)52-49(51-47)34-24-27-44-40(29-34)37-18-8-11-21-43(37)53-41-19-9-6-16-35(41)38-25-26-39-36-17-7-10-20-42(36)54(44)46(39)45(38)53/h1-29,48H,(H,50,51,52)
InChIKeyKLMUILNHRHWNNS-UHFFFAOYSA-N
MW689.82 g/mol
LogP11.61
Rot. Bonds3

About 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene

22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene (PubChem CID 137146113) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene.

Molecular Properties

Compound Name22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
PubChem CID137146113
Molecular FormulaC49H31N5
Molecular Weight689.82 g/mol
Exact Mass689.26
IUPAC Name22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene
SMILESc1ccc(C2=NC(c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)=NC(c3ccc4ccccc4c3)N2)cc1
InChIInChI=1S/C49H31N5/c1-2-13-31(14-3-1)47-50-48(33-23-22-30-12-4-5-15-32(30)28-33)52-49(51-47)34-24-27-44-40(29-34)37-18-8-11-21-43(37)53-41-19-9-6-16-35(41)38-25-26-39-36-17-7-10-20-42(36)54(44)46(39)45(38)53/h1-29,48H,(H,50,51,52)
InChIKeyKLMUILNHRHWNNS-UHFFFAOYSA-N
XLogP11.61
TPSA45.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.82
LogP ≤ 511.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[5-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-phenylindolo[3,2-b]carbazole
CID 137067046
9-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-[3-(3-triphenylen-2-ylphenyl)phenyl]carbazole
CID 137208682
3-carbazol-9-yl-9-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 136619917
9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-3-naphthalen-2-yl-6-(3-phenanthren-9-ylphenyl)carbazole
CID 137213155
2-naphthalen-2-yl-6-[3-phenanthren-2-yl-5-(4-pyridin-4-ylphenyl)phenyl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 137256270
5-[2-(2-naphthalen-2-yl-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166700313
11-[5-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-2-pyridinyl]-5-naphthalen-2-ylindolo[3,2-b]carbazole
CID 145190373
7-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]-2-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 137214902
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 146395931
11-[3-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 162498267
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-2-pyridin-4-yl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 137123817
4-[4-(2-naphthalen-2-ylnaphthalen-1-yl)phenyl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 154940466

Frequently Asked Questions

What is the IUPAC name of 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?
The IUPAC name of 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene (CID 137146113) is 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene.
What is the SMILES notation for 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?
The canonical SMILES for 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene is c1ccc(C2=NC(c3ccc4c(c3)c3ccccc3n3c5ccccc5c5ccc6c7ccccc7n4c6c53)=NC(c3ccc4ccccc4c3)N2)cc1.
What is the InChIKey of 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?
The InChIKey is KLMUILNHRHWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-2-13-31(14-3-1)47-50-48(33-23-22-30-12-4-5-15-32(30)28-33)52-49(51-47)34-24-27-44-40(29-34)37-18-8-11-21-43(37)53-41-19-9-6-16-35(41)38-25-26-39-36-17-7-10-20-42(36)54(44)46(39)45(38)53/h1-29,48H,(H,50,51,52).
What are the key properties of 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene?
22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene has a molecular weight of 689.82 g/mol, XLogP of 11.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(2-naphthalen-2-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-1,18-diazaoctacyclo[16.12.2.02,7.08,31.011,32.012,17.019,24.025,30]dotriaconta-2,4,6,8(31),9,11(32),12,14,16,19(24),20,22,25,27,29-pentadecaene is sourced from PubChem (CID 137146113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).