17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

C56H36N4O — CID 167138039

IUPAC17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
SMILESC1=C(c2ccccc2)N=C(n2c3ccccc3c3c(-c4ccc5c(c4)c4c6cccc7c6c(cc4n5-c4ccccc4)Oc4ccccc4-7)cccc32)NC1c1ccccc1
InChIInChI=1S/C56H36N4O/c1-4-16-35(17-5-1)45-33-46(36-18-6-2-7-19-36)58-56(57-45)60-47-27-12-10-23-42(47)53-39(24-15-28-49(53)60)37-30-31-48-44(32-37)54-43-26-14-25-41-40-22-11-13-29-51(40)61-52(55(41)43)34-50(54)59(48)38-20-8-3-9-21-38/h1-34,45H,(H,57,58)
InChIKeyXDTUYHRYQSYZTK-UHFFFAOYSA-N
MW780.93 g/mol
LogP14.07
Rot. Bonds4

About 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene

17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (PubChem CID 167138039) has the molecular formula C56H36N4O and a molecular weight of 780.93 g/mol. Its IUPAC name is 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.

Molecular Properties

Compound Name17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
PubChem CID167138039
Molecular FormulaC56H36N4O
Molecular Weight780.93 g/mol
Exact Mass780.29
IUPAC Name17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
SMILESC1=C(c2ccccc2)N=C(n2c3ccccc3c3c(-c4ccc5c(c4)c4c6cccc7c6c(cc4n5-c4ccccc4)Oc4ccccc4-7)cccc32)NC1c1ccccc1
InChIInChI=1S/C56H36N4O/c1-4-16-35(17-5-1)45-33-46(36-18-6-2-7-19-36)58-56(57-45)60-47-27-12-10-23-42(47)53-39(24-15-28-49(53)60)37-30-31-48-44(32-37)54-43-26-14-25-41-40-22-11-13-29-51(40)61-52(55(41)43)34-50(54)59(48)38-20-8-3-9-21-38/h1-34,45H,(H,57,58)
InChIKeyXDTUYHRYQSYZTK-UHFFFAOYSA-N
XLogP14.07
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.93
LogP ≤ 514.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene with MolForge

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Related Compounds

18-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 167137905
21-phenyl-18-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448253
15-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-24-phenyl-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 137095933
21-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138118
21-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138125
21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
CID 167138237
17-[9-(2,3,4,5,6-pentadeuteriophenyl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170532652
21-(2,6-diphenylpyrimidin-4-yl)-17-(9-phenylcarbazol-3-yl)-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 167138042
17-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448522
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137909
10-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-7-phenylbenzo[c]carbazole
CID 170041969
6-[9-[3-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 118587049

Frequently Asked Questions

What is the IUPAC name of 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The IUPAC name of 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene (CID 167138039) is 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene.
What is the SMILES notation for 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The canonical SMILES for 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is C1=C(c2ccccc2)N=C(n2c3ccccc3c3c(-c4ccc5c(c4)c4c6cccc7c6c(cc4n5-c4ccccc4)Oc4ccccc4-7)cccc32)NC1c1ccccc1.
What is the InChIKey of 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
The InChIKey is XDTUYHRYQSYZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4O/c1-4-16-35(17-5-1)45-33-46(36-18-6-2-7-19-36)58-56(57-45)60-47-27-12-10-23-42(47)53-39(24-15-28-49(53)60)37-30-31-48-44(32-37)54-43-26-14-25-41-40-22-11-13-29-51(40)61-52(55(41)43)34-50(54)59(48)38-20-8-3-9-21-38/h1-34,45H,(H,57,58).
What are the key properties of 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene?
17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene has a molecular weight of 780.93 g/mol, XLogP of 14.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)carbazol-4-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene is sourced from PubChem (CID 167138039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).