9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

C37H23N5 — CID 137491100

IUPAC9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
SMILESc1ccc(-c2nnc3c(n2)c2c(c4ccccc4n2-c2ccccc2)c2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C37H23N5/c1-4-14-24(15-5-1)37-38-34-33(39-40-37)31-27-20-10-12-22-29(27)41(25-16-6-2-7-17-25)35(31)32-28-21-11-13-23-30(28)42(36(32)34)26-18-8-3-9-19-26/h1-23H
InChIKeyWTZVBJJUKANXHX-UHFFFAOYSA-N
MW537.63 g/mol
LogP8.89
Rot. Bonds3

About 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene

9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (PubChem CID 137491100) has the molecular formula C37H23N5 and a molecular weight of 537.63 g/mol. Its IUPAC name is 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.

Molecular Properties

Compound Name9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
PubChem CID137491100
Molecular FormulaC37H23N5
Molecular Weight537.63 g/mol
Exact Mass537.20
IUPAC Name9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
SMILESc1ccc(-c2nnc3c(n2)c2c(c4ccccc4n2-c2ccccc2)c2c3c3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C37H23N5/c1-4-14-24(15-5-1)37-38-34-33(39-40-37)31-27-20-10-12-22-29(27)41(25-16-6-2-7-17-25)35(31)32-28-21-11-13-23-30(28)42(36(32)34)26-18-8-3-9-19-26/h1-23H
InChIKeyWTZVBJJUKANXHX-UHFFFAOYSA-N
XLogP8.89
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.63
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene with MolForge

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Related Compounds

14-naphthalen-2-yl-9,24-diphenyl-9,12,13,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene
CID 167366025
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 58142333
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,21-diphenyl-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 58142309
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,18,27-triphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12,14,16,21,23,25-dodecaene
CID 163546560
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,20-diphenyl-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 170064411
14-(6-carbazol-9-yl-2-pyridinyl)-3,24-diphenyl-3,12,13,15,24-pentazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,12,14,16,18,20,22-undecaene
CID 137491094
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-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 118502129
18-phenyl-9,21-bis(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729733
9,18-diphenyl-21-(4-phenylphenyl)-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 138729666
9-[2-carbazol-9-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 156577587

Frequently Asked Questions

What is the IUPAC name of 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?
The IUPAC name of 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene (CID 137491100) is 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene.
What is the SMILES notation for 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?
The canonical SMILES for 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is c1ccc(-c2nnc3c(n2)c2c(c4ccccc4n2-c2ccccc2)c2c3c3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?
The InChIKey is WTZVBJJUKANXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5/c1-4-14-24(15-5-1)37-38-34-33(39-40-37)31-27-20-10-12-22-29(27)41(25-16-6-2-7-17-25)35(31)32-28-21-11-13-23-30(28)42(36(32)34)26-18-8-3-9-19-26/h1-23H.
What are the key properties of 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene?
9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene has a molecular weight of 537.63 g/mol, XLogP of 8.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13,24-triphenyl-9,12,14,15,24-pentazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1,3,5,7,10,12,14,16,18,20,22-undecaene is sourced from PubChem (CID 137491100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).