23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene

C49H32N4 — CID 90267340

IUPAC23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C49H32N4/c1-5-15-33(16-6-1)36-30-43(34-17-7-2-8-18-34)50-47(31-36)53-46-32-45-35(27-28-51(45)37-19-9-3-10-20-37)29-42(46)41-26-25-40-39-23-13-14-24-44(39)52(48(40)49(41)53)38-21-11-4-12-22-38/h1-32H
InChIKeyGVXQHIIYXNGZNF-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.55
Rot. Bonds5

About 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene

23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene (PubChem CID 90267340) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene.

Molecular Properties

Compound Name23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
PubChem CID90267340
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C49H32N4/c1-5-15-33(16-6-1)36-30-43(34-17-7-2-8-18-34)50-47(31-36)53-46-32-45-35(27-28-51(45)37-19-9-3-10-20-37)29-42(46)41-26-25-40-39-23-13-14-24-44(39)52(48(40)49(41)53)38-21-11-4-12-22-38/h1-32H
InChIKeyGVXQHIIYXNGZNF-UHFFFAOYSA-N
XLogP12.55
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene with MolForge

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Related Compounds

12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
1-(4,6-diphenyl-2-pyridinyl)-9-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazole
CID 123499530
11-(4-carbazol-9-ylphenyl)-7-phenyl-7,11-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2(10),3,5,8,13,15,17,19-nonaene
CID 123940572
19-(4,6-diphenyl-2-pyridinyl)-9-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
CID 140913938
20-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223210
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
7-(4,6-diphenyl-2-pyridinyl)-14-phenyl-7,14-diazapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1(13),2,4(8),5,9,11,15,17,19-nonaene
CID 90223421
20-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-7,20-diazapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),3,5,8,11,14,16,18-nonaene
CID 90223094
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
16-(3,5-diphenylphenyl)-10-phenyl-10,16-diazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1,3(11),4,6,8,12,14,17,19-nonaene
CID 90223381

Frequently Asked Questions

What is the IUPAC name of 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene?
The IUPAC name of 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene (CID 90267340) is 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene.
What is the SMILES notation for 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene?
The canonical SMILES for 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc5c(ccn5-c5ccccc5)cc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene?
The InChIKey is GVXQHIIYXNGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4/c1-5-15-33(16-6-1)36-30-43(34-17-7-2-8-18-34)50-47(31-36)53-46-32-45-35(27-28-51(45)37-19-9-3-10-20-37)29-42(46)41-26-25-40-39-23-13-14-24-44(39)52(48(40)49(41)53)38-21-11-4-12-22-38/h1-32H.
What are the key properties of 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene?
23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene has a molecular weight of 676.82 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(4,6-diphenyl-2-pyridinyl)-3,19-diphenyl-3,19,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.016,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,20-decaene is sourced from PubChem (CID 90267340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).