2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

C60H38N6 — CID 165151326

IUPAC2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)ccc43)n2)cc1
InChIInChI=1S/C60H38N6/c1-4-16-38(17-5-1)55-61-56(39-18-6-2-7-19-39)64-59(63-55)45-29-31-49-51(35-45)53-47-25-12-13-26-48(47)54(49)52-36-46(30-32-50(52)53)60-65-57(40-20-8-3-9-21-40)62-58(66-60)44-24-14-23-42(34-44)43-28-27-37-15-10-11-22-41(37)33-43/h1-36,53-54H
InChIKeyURMCNLDUUIRXCC-UHFFFAOYSA-N
MW843.01 g/mol
LogP13.87
Rot. Bonds7

About 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine

2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 165151326) has the molecular formula C60H38N6 and a molecular weight of 843.01 g/mol. Its IUPAC name is 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID165151326
Molecular FormulaC60H38N6
Molecular Weight843.01 g/mol
Exact Mass842.32
IUPAC Name2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)ccc43)n2)cc1
InChIInChI=1S/C60H38N6/c1-4-16-38(17-5-1)55-61-56(39-18-6-2-7-19-39)64-59(63-55)45-29-31-49-51(35-45)53-47-25-12-13-26-48(47)54(49)52-36-46(30-32-50(52)53)60-65-57(40-20-8-3-9-21-40)62-58(66-60)44-24-14-23-42(34-44)43-28-27-37-15-10-11-22-41(37)33-43/h1-36,53-54H
InChIKeyURMCNLDUUIRXCC-UHFFFAOYSA-N
XLogP13.87
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165150447
bis(2-[4-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[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),10,12,15,17,19-nonaenyl]-1,3,5-triazine)
CID 167580611
4-naphthalen-2-yl-2-[11-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151260
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2-[3-[3-[3-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311605
2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine
CID 165151675
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871
2,4-diphenyl-6-[11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine;2,4-diphenyl-6-[11-[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),10,12,15,17,19-nonaenyl]-1,3,5-triazine;2-[3-[3-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167711267
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089

Frequently Asked Questions

What is the IUPAC name of 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine (CID 165151326) is 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)nc(-c6cccc(-c7ccc8ccccc8c7)c6)n5)ccc43)n2)cc1.
What is the InChIKey of 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is URMCNLDUUIRXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6/c1-4-16-38(17-5-1)55-61-56(39-18-6-2-7-19-39)64-59(63-55)45-29-31-49-51(35-45)53-47-25-12-13-26-48(47)54(49)52-36-46(30-32-50(52)53)60-65-57(40-20-8-3-9-21-40)62-58(66-60)44-24-14-23-42(34-44)43-28-27-37-15-10-11-22-41(37)33-43/h1-36,53-54H.
What are the key properties of 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine?
2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 843.01 g/mol, XLogP of 13.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 165151326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).