2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

C84H54N8O — CID 159904244

IUPAC2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5cc6c(cc5c5ncccc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)o2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2cccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C44H28N4O.C40H26N4/c1-4-13-29(14-5-1)42-46-47-43(49-42)30-22-24-33(25-23-30)48-39-21-12-26-45-41(39)36-27-38-35(28-40(36)48)34-19-10-11-20-37(34)44(38,31-15-6-2-7-16-31)32-17-8-3-9-18-32;1-3-11-28(12-4-1)40(29-13-5-2-6-14-29)33-16-8-7-15-30(33)31-26-37-32(25-34(31)40)39-36(18-10-22-42-39)44(37)38-19-9-17-35(43-38)27-20-23-41-24-21-27/h1-28H;1-26H
InChIKeyNWIYWQZBSUMMHN-UHFFFAOYSA-N
MW1191.41 g/mol
LogP19.26
Rot. Bonds9

About 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene

2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (PubChem CID 159904244) has the molecular formula C84H54N8O and a molecular weight of 1191.41 g/mol. Its IUPAC name is 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.

Molecular Properties

Compound Name2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
PubChem CID159904244
Molecular FormulaC84H54N8O
Molecular Weight1191.41 g/mol
Exact Mass1190.44
IUPAC Name2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
SMILESc1ccc(-c2nnc(-c3ccc(-n4c5cc6c(cc5c5ncccc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)o2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2cccc(-c3ccncc3)n2)cc1
InChIInChI=1S/C44H28N4O.C40H26N4/c1-4-13-29(14-5-1)42-46-47-43(49-42)30-22-24-33(25-23-30)48-39-21-12-26-45-41(39)36-27-38-35(28-40(36)48)34-19-10-11-20-37(34)44(38,31-15-6-2-7-16-31)32-17-8-3-9-18-32;1-3-11-28(12-4-1)40(29-13-5-2-6-14-29)33-16-8-7-15-30(33)31-26-37-32(25-34(31)40)39-36(18-10-22-42-39)44(37)38-19-9-17-35(43-38)27-20-23-41-24-21-27/h1-28H;1-26H
InChIKeyNWIYWQZBSUMMHN-UHFFFAOYSA-N
XLogP19.26
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.41
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene with MolForge

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Related Compounds

10-naphthalen-2-yl-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037072
20,20-diphenyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037087
10-(4-dibenzothiophen-4-ylphenyl)-20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 71037093
10-(4-dibenzofuran-4-ylphenyl)-20,20-dimethyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-10-(6-pyridin-2-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene;20,20-dimethyl-10-(6-pyridin-3-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 157346723
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
2,5-bis[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]-1,3,4-oxadiazole
CID 122593757
[3-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)-5-methoxyphenyl]methanol
CID 71037075
2-phenyl-5-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]-1,3,4-oxadiazole
CID 89492500
10-cyclohexa-1,5-dien-1-yl-10-phenyl-20-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]-7,20-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 149202346
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161280871
7,7-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 158074658

Frequently Asked Questions

What is the IUPAC name of 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The IUPAC name of 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene (CID 159904244) is 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene.
What is the SMILES notation for 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The canonical SMILES for 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is c1ccc(-c2nnc(-c3ccc(-n4c5cc6c(cc5c5ncccc54)C(c4ccccc4)(c4ccccc4)c4ccccc4-6)cc3)o2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(cc32)c2ncccc2n4-c2cccc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
The InChIKey is NWIYWQZBSUMMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O.C40H26N4/c1-4-13-29(14-5-1)42-46-47-43(49-42)30-22-24-33(25-23-30)48-39-21-12-26-45-41(39)36-27-38-35(28-40(36)48)34-19-10-11-20-37(34)44(38,31-15-6-2-7-16-31)32-17-8-3-9-18-32;1-3-11-28(12-4-1)40(29-13-5-2-6-14-29)33-16-8-7-15-30(33)31-26-37-32(25-34(31)40)39-36(18-10-22-42-39)44(37)38-19-9-17-35(43-38)27-20-23-41-24-21-27/h1-28H;1-26H.
What are the key properties of 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene?
2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene has a molecular weight of 1191.41 g/mol, XLogP of 19.26, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(20,20-diphenyl-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-10-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;20,20-diphenyl-10-(6-pyridin-4-yl-2-pyridinyl)-5,10-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene is sourced from PubChem (CID 159904244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).