2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

C62H39FN6 — CID 165151676

IUPAC2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)cc21
InChIInChI=1S/C62H39FN6/c63-44-31-34-49-54(37-44)56-48-33-30-42(59-64-57(40-21-9-3-10-22-40)66-61(68-59)50-27-15-13-25-45(50)38-17-5-1-6-18-38)35-52(48)55(49)47-32-29-43(36-53(47)56)60-65-58(41-23-11-4-12-24-41)67-62(69-60)51-28-16-14-26-46(51)39-19-7-2-8-20-39/h1-37,55-56H
InChIKeySTISAVUYWDXRPF-UHFFFAOYSA-N
MW887.03 g/mol
LogP14.52
Rot. Bonds8

About 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine

2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 165151676) has the molecular formula C62H39FN6 and a molecular weight of 887.03 g/mol. Its IUPAC name is 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID165151676
Molecular FormulaC62H39FN6
Molecular Weight887.03 g/mol
Exact Mass886.32
IUPAC Name2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)cc21
InChIInChI=1S/C62H39FN6/c63-44-31-34-49-54(37-44)56-48-33-30-42(59-64-57(40-21-9-3-10-22-40)66-61(68-59)50-27-15-13-25-45(50)38-17-5-1-6-18-38)35-52(48)55(49)47-32-29-43(36-53(47)56)60-65-58(41-23-11-4-12-24-41)67-62(69-60)51-28-16-14-26-46(51)39-19-7-2-8-20-39/h1-37,55-56H
InChIKeySTISAVUYWDXRPF-UHFFFAOYSA-N
XLogP14.52
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.03
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-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

1,3,5-Triazine, 2,4-dimethoxy-6-(1-pyrenyl)-
CID 76757
Tris-biphenyl triazine
CID 11628027
2,4-Dichloro-6-pyren-1-yl-1,3,5-triazine
CID 76698
2,4-Bis(4-biphenylyl)-6-chloro-1,3,5-triazine
CID 22476006
2-Chloro-4,6-di(naphthalen-1-yl)-1,3,5-triazine
CID 23546878
2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 118652415
2-(3'-(9,9-dimethyl-9H-fluoren-2-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 121450606
2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
CID 22475988
6,6'-((Perfluoropropane-2,2-diyl)bis(4,1-phenylene))bis(2,4-diphenyl-1,3,5-triazine)
CID 139500797
9,10-bis-(4,6-diamino-S-triazin-2-yl)anthracene
CID 14670367
2-[4-[4-(4,6-Dimethyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-dimethyl-1,3,5-triazine
CID 20652058
4,4'-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,1'-biphenyl
CID 22598582

Frequently Asked Questions

What is the IUPAC name of 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine (CID 165151676) is 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is Fc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)cc21.
What is the InChIKey of 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is STISAVUYWDXRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39FN6/c63-44-31-34-49-54(37-44)56-48-33-30-42(59-64-57(40-21-9-3-10-22-40)66-61(68-59)50-27-15-13-25-45(50)38-17-5-1-6-18-38)35-52(48)55(49)47-32-29-43(36-53(47)56)60-65-58(41-23-11-4-12-24-41)67-62(69-60)51-28-16-14-26-46(51)39-19-7-2-8-20-39/h1-37,55-56H.
What are the key properties of 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine?
2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 887.03 g/mol, XLogP of 14.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-fluoro-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165151676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).