9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

C36H23N3 — CID 122465154

IUPAC9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESC1=Nc2c(cccc2-n2c3ccccc3c3c4c(ccc5c4c4ccccc4n5-c4ccccc4)ccc32)C1
InChIInChI=1S/C36H23N3/c1-2-10-25(11-3-1)38-28-14-6-4-12-26(28)34-30(38)19-17-23-18-20-31-35(33(23)34)27-13-5-7-15-29(27)39(31)32-16-8-9-24-21-22-37-36(24)32/h1-20,22H,21H2
InChIKeyXXCYFTIZUIOPDS-UHFFFAOYSA-N
MW497.60 g/mol
LogP9.29
Rot. Bonds2

About 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene

9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (PubChem CID 122465154) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.

Molecular Properties

Compound Name9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
PubChem CID122465154
Molecular FormulaC36H23N3
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC Name9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
SMILESC1=Nc2c(cccc2-n2c3ccccc3c3c4c(ccc5c4c4ccccc4n5-c4ccccc4)ccc32)C1
InChIInChI=1S/C36H23N3/c1-2-10-25(11-3-1)38-28-14-6-4-12-26(28)34-30(38)19-17-23-18-20-31-35(33(23)34)27-13-5-7-15-29(27)39(31)32-16-8-9-24-21-22-37-36(24)32/h1-20,22H,21H2
InChIKeyXXCYFTIZUIOPDS-UHFFFAOYSA-N
XLogP9.29
TPSA22.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene with MolForge

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Related Compounds

9-(3H-indol-7-yl)-17,17-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464320
9-phenyl-17-(1-phenylbenzimidazol-4-yl)-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122465284
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
9-phenyl-14-[10-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)anthracen-9-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170394033
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
4,22-diphenyl-4,22-diazahexacyclo[17.2.1.03,11.05,10.012,21.015,20]docosa-1(21),2,5,7,9,11,13,15(20),16,18-decaene
CID 90249088
15-dibenzofuran-1-yl-10,20-diphenyl-10,15,20-triazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 174349977
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 155473781
17,17-dimethyl-9-(9-phenylcarbazol-4-yl)-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122464687
3-(3H-indol-4-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 122465164
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360

Frequently Asked Questions

What is the IUPAC name of 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The IUPAC name of 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene (CID 122465154) is 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene.
What is the SMILES notation for 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The canonical SMILES for 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is C1=Nc2c(cccc2-n2c3ccccc3c3c4c(ccc5c4c4ccccc4n5-c4ccccc4)ccc32)C1.
What is the InChIKey of 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
The InChIKey is XXCYFTIZUIOPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-2-10-25(11-3-1)38-28-14-6-4-12-26(28)34-30(38)19-17-23-18-20-31-35(33(23)34)27-13-5-7-15-29(27)39(31)32-16-8-9-24-21-22-37-36(24)32/h1-20,22H,21H2.
What are the key properties of 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene?
9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene has a molecular weight of 497.60 g/mol, XLogP of 9.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3H-indol-7-yl)-17-phenyl-9,17-diazahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene is sourced from PubChem (CID 122465154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).