2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine

C62H39FN6 — CID 165150620

IUPAC2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21
InChIInChI=1S/C62H39FN6/c63-48-29-32-51-54(37-48)56-50-31-28-46(61-66-57(40-19-9-3-10-20-40)64-59(68-61)44-25-13-23-42(33-44)38-15-5-1-6-16-38)35-52(50)55(51)49-30-27-47(36-53(49)56)62-67-58(41-21-11-4-12-22-41)65-60(69-62)45-26-14-24-43(34-45)39-17-7-2-8-18-39/h1-37,55-56H
InChIKeyYGBSPMRWDMDTFK-UHFFFAOYSA-N
MW887.03 g/mol
LogP14.52
Rot. Bonds8

About 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine

2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165150620) 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-(3-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-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine
PubChem CID165150620
Molecular FormulaC62H39FN6
Molecular Weight887.03 g/mol
Exact Mass886.32
IUPAC Name2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine
SMILESFc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21
InChIInChI=1S/C62H39FN6/c63-48-29-32-51-54(37-48)56-50-31-28-46(61-66-57(40-19-9-3-10-20-40)64-59(68-61)44-25-13-23-42(33-44)38-15-5-1-6-16-38)35-52(50)55(51)49-30-27-47(36-53(49)56)62-67-58(41-21-11-4-12-22-41)65-60(69-62)45-26-14-24-43(34-45)39-17-7-2-8-18-39/h1-37,55-56H
InChIKeyYGBSPMRWDMDTFK-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-(3-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-(3-phenylphenyl)-1,3,5-triazine with MolForge

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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-(3-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-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine (CID 165150620) is 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine is Fc1ccc2c(c1)C1c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3C2c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc21.
What is the InChIKey of 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is YGBSPMRWDMDTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39FN6/c63-48-29-32-51-54(37-48)56-50-31-28-46(61-66-57(40-19-9-3-10-20-40)64-59(68-61)44-25-13-23-42(33-44)38-15-5-1-6-16-38)35-52(50)55(51)49-30-27-47(36-53(49)56)62-67-58(41-21-11-4-12-22-41)65-60(69-62)45-26-14-24-43(34-45)39-17-7-2-8-18-39/h1-37,55-56H.
What are the key properties of 2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-phenylphenyl)-1,3,5-triazine?
2-[11-fluoro-18-[4-phenyl-6-(3-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-(3-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-(3-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-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165150620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).