3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene

C39H25N3 — CID 162483678

IUPAC3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c4c23)cc1
InChIInChI=1S/C39H25N3/c1-4-14-26(15-5-1)36-38-35-31(29-20-10-13-23-34(29)42(38)39(40-36)27-16-6-2-7-17-27)24-25-32-30-21-11-12-22-33(30)41(37(32)35)28-18-8-3-9-19-28/h1-25H
InChIKeyOCQDCBLICUWTFF-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.07
Rot. Bonds3

About 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene

3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene (PubChem CID 162483678) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene.

Molecular Properties

Compound Name3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
PubChem CID162483678
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c4c23)cc1
InChIInChI=1S/C39H25N3/c1-4-14-26(15-5-1)36-38-35-31(29-20-10-13-23-34(29)42(38)39(40-36)27-16-6-2-7-17-27)24-25-32-30-21-11-12-22-33(30)41(37(32)35)28-18-8-3-9-19-28/h1-25H
InChIKeyOCQDCBLICUWTFF-UHFFFAOYSA-N
XLogP10.07
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene 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

21,23-diphenyl-3-(4-phenylquinazolin-2-yl)-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene
CID 162483659
9,15-diphenyl-17-(4-phenylphenyl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,14,16,19,21,23-undecaene
CID 162483753
11,12-diphenylindolo[2,3-i]phenanthridine
CID 129122135
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21,23-triphenyl-9,22,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene;3,15,17,21-tetraphenyl-3,14,16-triazahexacyclo[11.11.0.02,10.04,9.014,18.019,24]tetracosa-1(13),2(10),4,6,8,11,15,17,19(24),20,22-undecaene;9,15,17,22-tetraphenyl-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19(24),20,22-undecaene
CID 163506585
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-27-phenyl-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene
CID 135232286
11-[3-(3-carbazol-9-ylphenyl)phenyl]-12-phenylindolo[2,3-i]phenanthridine
CID 129123066
12-[4-(3-carbazol-9-ylphenyl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122894
17-[4-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]phenyl]-8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 130259301
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 162483712
11-phenyl-12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[2,3-i]phenanthridine
CID 129122934
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-i]phenanthridine
CID 129122989

Frequently Asked Questions

What is the IUPAC name of 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene?
The IUPAC name of 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene (CID 162483678) is 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene.
What is the SMILES notation for 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene?
The canonical SMILES for 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene is c1ccc(-c2nc(-c3ccccc3)n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c4c23)cc1.
What is the InChIKey of 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene?
The InChIKey is OCQDCBLICUWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-4-14-26(15-5-1)36-38-35-31(29-20-10-13-23-34(29)42(38)39(40-36)27-16-6-2-7-17-27)24-25-32-30-21-11-12-22-33(30)41(37(32)35)28-18-8-3-9-19-28/h1-25H.
What are the key properties of 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene?
3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene has a molecular weight of 535.65 g/mol, XLogP of 10.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,21,23-triphenyl-3,20,22-triazahexacyclo[11.11.0.02,10.04,9.014,19.020,24]tetracosa-1(13),2(10),4,6,8,11,14,16,18,21,23-undecaene is sourced from PubChem (CID 162483678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).