18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene

C38H23N5 — CID 159099860

IUPAC18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5n(-c5ccccc5)c4cc32)c2ccncc2n2ccnc62)cc1
InChIInChI=1S/C38H23N5/c1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)29-19-30-31-20-32-28(27-15-16-39-23-37(27)41-18-17-40-38(32)41)21-34(31)43(36(30)22-35(29)42)25-11-5-2-6-12-25/h1-23H
InChIKeyZQUYBXATYLQQNN-UHFFFAOYSA-N
MW549.64 g/mol
LogP9.23
Rot. Bonds2

About 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene

18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene (PubChem CID 159099860) has the molecular formula C38H23N5 and a molecular weight of 549.64 g/mol. Its IUPAC name is 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene.

Molecular Properties

Compound Name18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
PubChem CID159099860
Molecular FormulaC38H23N5
Molecular Weight549.64 g/mol
Exact Mass549.20
IUPAC Name18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5n(-c5ccccc5)c4cc32)c2ccncc2n2ccnc62)cc1
InChIInChI=1S/C38H23N5/c1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)29-19-30-31-20-32-28(27-15-16-39-23-37(27)41-18-17-40-38(32)41)21-34(31)43(36(30)22-35(29)42)25-11-5-2-6-12-25/h1-23H
InChIKeyZQUYBXATYLQQNN-UHFFFAOYSA-N
XLogP9.23
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.64
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

18,28-diphenyl-5,8,12,18,28-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,22,24,26,29-tetradecaene
CID 157379128
18,28-diphenyl-5,10,13,18,28-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.019,31.021,29.022,27]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,19(31),20,22,24,26,29-tetradecaene
CID 163647461
27,31-diphenyl-6,10,13,27,31-pentazaoctacyclo[15.14.0.02,14.03,8.09,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),3(8),4,6,9,11,15,18(30),19,21,23,25,28-tetradecaene
CID 163894059
9-phenyl-9,15,18,21-tetrazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,14,16,19(24),20,22-undecaene
CID 159401186
22-phenyl-2,5,8,22-tetrazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(13),3,5,7(12),8,10,14,16,18,20,23-undecaene
CID 163431296
22-phenyl-5,8,11,22-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),23,25,27-tetradecaene
CID 159379033
21,31-diphenyl-3,6,11,21,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,22,24,26,28-tetradecaene;22,31-diphenyl-3,6,11,22,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.023,28]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),23,25,27-tetradecaene;27,31-diphenyl-3,6,11,27,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.021,26]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21,23,25,28-tetradecaene;28,31-diphenyl-3,6,11,28,31-pentazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.021,29.022,27]hentriaconta-1(17),2(14),4,6,8(13),9,11,15,18(30),19,21(29),22,24,26-tetradecaene
CID 163457763
13,17-diphenyl-13,17,24,27,34-pentazanonacyclo[18.15.0.03,18.04,16.06,14.07,12.021,26.027,35.028,33]pentatriaconta-1(20),2,4(16),5,7,9,11,14,18,21(26),22,24,28,30,32,34-hexadecaene
CID 161441197
21-phenyl-4,7,10,21-tetrazaoctacyclo[15.14.0.02,14.03,7.08,13.018,30.020,28.022,27]hentriaconta-1(17),2(14),3,5,8(13),9,11,15,18,20(28),22,24,26,29-tetradecaene
CID 157065895
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
28-phenyl-5,8,11,28-tetrazaoctacyclo[15.14.0.03,15.04,8.09,14.018,30.021,29.022,27]hentriaconta-1,3(15),4,6,9(14),10,12,16,18(30),19,21(29),22,24,26-tetradecaene
CID 157364303
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214

Frequently Asked Questions

What is the IUPAC name of 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene?
The IUPAC name of 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene (CID 159099860) is 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene.
What is the SMILES notation for 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene?
The canonical SMILES for 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene is c1ccc(-n2c3ccccc3c3cc4c5cc6c(cc5n(-c5ccccc5)c4cc32)c2ccncc2n2ccnc62)cc1.
What is the InChIKey of 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene?
The InChIKey is ZQUYBXATYLQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5/c1-3-9-24(10-4-1)42-33-14-8-7-13-26(33)29-19-30-31-20-32-28(27-15-16-39-23-37(27)41-18-17-40-38(32)41)21-34(31)43(36(30)22-35(29)42)25-11-5-2-6-12-25/h1-23H.
What are the key properties of 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene?
18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene has a molecular weight of 549.64 g/mol, XLogP of 9.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18,22-diphenyl-5,8,11,18,22-pentazaoctacyclo[15.14.0.03,15.04,8.09,14.019,31.021,29.023,28]hentriaconta-1,3(15),4,6,9(14),10,12,16,19(31),20,23,25,27,29-tetradecaene is sourced from PubChem (CID 159099860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).