9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one

C40H26N2O — CID 164807087

IUPAC9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one
SMILESO=c1c2c3ccc4c(c3n(-c3ccccc3)c2c2ccccc2n1-c1ccccc1)-c1ccccc1C4c1ccccc1
InChIInChI=1S/C40H26N2O/c43-40-37-33-25-24-32-35(26-14-4-1-5-15-26)29-20-10-11-21-30(29)36(32)39(33)42(28-18-8-3-9-19-28)38(37)31-22-12-13-23-34(31)41(40)27-16-6-2-7-17-27/h1-25,35H
InChIKeyYOHWSFNIOJYSDZ-UHFFFAOYSA-N
MW550.66 g/mol
LogP9.25
Rot. Bonds3

About 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one

9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one (PubChem CID 164807087) has the molecular formula C40H26N2O and a molecular weight of 550.66 g/mol. Its IUPAC name is 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one.

Molecular Properties

Compound Name9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one
PubChem CID164807087
Molecular FormulaC40H26N2O
Molecular Weight550.66 g/mol
Exact Mass550.20
IUPAC Name9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one
SMILESO=c1c2c3ccc4c(c3n(-c3ccccc3)c2c2ccccc2n1-c1ccccc1)-c1ccccc1C4c1ccccc1
InChIInChI=1S/C40H26N2O/c43-40-37-33-25-24-32-35(26-14-4-1-5-15-26)29-20-10-11-21-30(29)36(32)39(33)42(28-18-8-3-9-19-28)38(37)31-22-12-13-23-34(31)41(40)27-16-6-2-7-17-27/h1-25,35H
InChIKeyYOHWSFNIOJYSDZ-UHFFFAOYSA-N
XLogP9.25
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one with MolForge

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Related Compounds

12-[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]-7-phenyl-7H-indeno[1,2-a]carbazole
CID 118041112
4-carbazol-9-yl-3-isocyano-5-[4-(7-phenyl-7H-indeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 167403562
4-(3,5-diphenylphenyl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;10-(3,5-diphenylphenyl)-22-phenyl-10,15,22-triazaheptacyclo[13.11.1.02,14.03,11.04,9.016,21.023,27]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18,20,23,25-dodecaene;20-(4,6-diphenylpyrimidin-2-yl)-10-phenyl-1,20-diazaheptacyclo[13.11.1.02,14.03,11.04,9.019,27.021,26]heptacosa-2(14),3(11),4,6,8,12,15(27),16,18,21,23,25-dodecaene;20-(4,6-diphenylpyrimidin-2-yl)-4-phenyl-1,4,20-triazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),5,7,9,12,15(27),16,18,21,23,25-dodecaene
CID 159944067
1-carbazol-9-yl-5-[2-(9H-fluoren-9-yl)phenyl]-9-phenylcarbazole
CID 166002984
7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 168729367
[4-(7H-fluoreno[4,3-b][1]benzothiol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane
CID 167382823
3,14-diphenyl-3-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene;3,14-diphenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene;3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene;3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene;9,14-diphenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;9,14-diphenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene;9,24-diphenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;9,24-diphenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;12,16-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12,22-diphenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene;12,22-diphenyl-12,22-diazahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 159295460
12-phenyl-7-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-7H-indeno[1,2-a]carbazole
CID 118349912
12-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]-7H-indeno[1,2-a]carbazole
CID 156573457
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
4,12-diphenyl-16-triphenylen-2-yl-4,12,16-triazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),5,7,9,14,17,19,21,23-decaen-3-one
CID 164807131

Frequently Asked Questions

What is the IUPAC name of 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one?
The IUPAC name of 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one (CID 164807087) is 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one.
What is the SMILES notation for 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one?
The canonical SMILES for 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one is O=c1c2c3ccc4c(c3n(-c3ccccc3)c2c2ccccc2n1-c1ccccc1)-c1ccccc1C4c1ccccc1.
What is the InChIKey of 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one?
The InChIKey is YOHWSFNIOJYSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O/c43-40-37-33-25-24-32-35(26-14-4-1-5-15-26)29-20-10-11-21-30(29)36(32)39(33)42(28-18-8-3-9-19-28)38(37)31-22-12-13-23-34(31)41(40)27-16-6-2-7-17-27/h1-25,35H.
What are the key properties of 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one?
9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one has a molecular weight of 550.66 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,16,24-triphenyl-16,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),17,19,21-decaen-15-one is sourced from PubChem (CID 164807087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).