9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C32H20N6O2 — CID 59344129

IUPAC9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cc2c(cn1)Oc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Oc4cnccc43)cc2)cc1
InChIInChI=1S/C32H20N6O2/c1-5-23(37-25-9-13-33-17-29(25)39-30-18-34-14-10-26(30)37)6-2-21(1)22-3-7-24(8-4-22)38-27-11-15-35-19-31(27)40-32-20-36-16-12-28(32)38/h1-20H
InChIKeyGEXCVHABOIBAJC-UHFFFAOYSA-N
MW520.55 g/mol
LogP8.08
Rot. Bonds3

About 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59344129) has the molecular formula C32H20N6O2 and a molecular weight of 520.55 g/mol. Its IUPAC name is 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59344129
Molecular FormulaC32H20N6O2
Molecular Weight520.55 g/mol
Exact Mass520.16
IUPAC Name9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESc1cc2c(cn1)Oc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Oc4cnccc43)cc2)cc1
InChIInChI=1S/C32H20N6O2/c1-5-23(37-25-9-13-33-17-29(25)39-30-18-34-14-10-26(30)37)6-2-21(1)22-3-7-24(8-4-22)38-27-11-15-35-19-31(27)40-32-20-36-16-12-28(32)38/h1-20H
InChIKeyGEXCVHABOIBAJC-UHFFFAOYSA-N
XLogP8.08
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.55
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene 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

5-[4-[4-(10H-pyrido[4,3-b][1,6]naphthyridin-5-yl)phenyl]phenyl]-10H-pyrido[4,3-b][1,6]naphthyridine
CID 59344179
8-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 135159317
7-methyl-5-phenylpyrido[3,4-b][1,4]benzoxazine
CID 134527326
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
CID 129037655
10-(4-methylphenyl)-3,7-diphenylphenoxazine
CID 58556205
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
9-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59572362
10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
CID 152549860

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59344129) is 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is c1cc2c(cn1)Oc1cnccc1N2c1ccc(-c2ccc(N3c4ccncc4Oc4cnccc43)cc2)cc1.
What is the InChIKey of 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is GEXCVHABOIBAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6O2/c1-5-23(37-25-9-13-33-17-29(25)39-30-18-34-14-10-26(30)37)6-2-21(1)22-3-7-24(8-4-22)38-27-11-15-35-19-31(27)40-32-20-36-16-12-28(32)38/h1-20H.
What are the key properties of 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 520.55 g/mol, XLogP of 8.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-9-yl)phenyl]phenyl]-2-oxa-5,9,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59344129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).