2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine

C69H37N3O2S — CID 171051326

IUPAC2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc9c(c8)c8cccc%10oc%11cccc9c%11c%108)cc7c6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc12
InChIInChI=1S/C69H37N3O2S/c1-2-11-45-44(10-1)46-30-26-40(34-57(46)58-36-42(27-31-47(45)58)41-28-32-48-52-14-8-19-60-64(52)65-53(56(48)35-41)15-9-20-61(65)74-60)38-22-24-39(25-23-38)67-70-68(43-29-33-50-49-12-3-5-18-59(49)73-62(50)37-43)72-69(71-67)55-17-7-16-54-51-13-4-6-21-63(51)75-66(54)55/h1-37H
InChIKeyZIPHUAYIWMLILT-UHFFFAOYSA-N
MW972.14 g/mol
LogP19.58
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine (PubChem CID 171051326) has the molecular formula C69H37N3O2S and a molecular weight of 972.14 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine
PubChem CID171051326
Molecular FormulaC69H37N3O2S
Molecular Weight972.14 g/mol
Exact Mass971.26
IUPAC Name2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc9c(c8)c8cccc%10oc%11cccc9c%11c%108)cc7c6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc12
InChIInChI=1S/C69H37N3O2S/c1-2-11-45-44(10-1)46-30-26-40(34-57(46)58-36-42(27-31-47(45)58)41-28-32-48-52-14-8-19-60-64(52)65-53(56(48)35-41)15-9-20-61(65)74-60)38-22-24-39(25-23-38)67-70-68(43-29-33-50-49-12-3-5-18-59(49)73-62(50)37-43)72-69(71-67)55-17-7-16-54-51-13-4-6-21-63(51)75-66(54)55/h1-37H
InChIKeyZIPHUAYIWMLILT-UHFFFAOYSA-N
XLogP19.58
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.14
LogP ≤ 519.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine 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

2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[3-[3-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 171051188
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170151778
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445744
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)phenyl]-1,3,5-triazine
CID 167167218
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-(3-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163842372
2-dibenzothiophen-4-yl-4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723669
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-dibenzothiophen-4-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)-6-phenyl-1,3,5-triazine
CID 146431796
2-chrysen-1-yl-4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazine
CID 170131910
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6,8,10,12(17),13,15-nonaen-4-yl)phenyl]-1,3,5-triazine
CID 171051327

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine (CID 171051326) is 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine is c1ccc2c(c1)oc1cc(-c3nc(-c4ccc(-c5ccc6c7ccccc7c7ccc(-c8ccc9c(c8)c8cccc%10oc%11cccc9c%11c%108)cc7c6c5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc12.
What is the InChIKey of 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is ZIPHUAYIWMLILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H37N3O2S/c1-2-11-45-44(10-1)46-30-26-40(34-57(46)58-36-42(27-31-47(45)58)41-28-32-48-52-14-8-19-60-64(52)65-53(56(48)35-41)15-9-20-61(65)74-60)38-22-24-39(25-23-38)67-70-68(43-29-33-50-49-12-3-5-18-59(49)73-62(50)37-43)72-69(71-67)55-17-7-16-54-51-13-4-6-21-63(51)75-66(54)55/h1-37H.
What are the key properties of 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine has a molecular weight of 972.14 g/mol, XLogP of 19.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-dibenzothiophen-4-yl-6-[4-[11-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)triphenylen-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 171051326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).