2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine

C96H60N6O2 — CID 170010934

IUPAC2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccc%10oc%11ccc(-c%12ccc%13oc%14ccccc%14c%13c%12)cc%11c9%10)c8)n7)cc6)cc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C96H60N6O2/c1-6-21-61(22-7-1)76-53-77(62-23-8-2-9-24-62)56-80(55-76)95-100-93(101-96(102-95)81-57-78(63-25-10-3-11-26-63)54-79(58-81)64-27-12-4-13-28-64)74-33-18-31-70(51-74)67-41-39-65(40-42-67)66-43-45-69(46-44-66)92-97-91(68-29-14-5-15-30-68)98-94(99-92)75-34-19-32-73(52-75)82-36-20-38-89-90(82)85-60-72(48-50-88(85)104-89)71-47-49-87-84(59-71)83-35-16-17-37-86(83)103-87/h1-60H
InChIKeyLAQMVJLURFEPQY-UHFFFAOYSA-N
MW1329.58 g/mol
LogP25.19
Rot. Bonds14

About 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine

2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 170010934) has the molecular formula C96H60N6O2 and a molecular weight of 1329.58 g/mol. Its IUPAC name is 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID170010934
Molecular FormulaC96H60N6O2
Molecular Weight1329.58 g/mol
Exact Mass1328.48
IUPAC Name2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccc%10oc%11ccc(-c%12ccc%13oc%14ccccc%14c%13c%12)cc%11c9%10)c8)n7)cc6)cc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C96H60N6O2/c1-6-21-61(22-7-1)76-53-77(62-23-8-2-9-24-62)56-80(55-76)95-100-93(101-96(102-95)81-57-78(63-25-10-3-11-26-63)54-79(58-81)64-27-12-4-13-28-64)74-33-18-31-70(51-74)67-41-39-65(40-42-67)66-43-45-69(46-44-66)92-97-91(68-29-14-5-15-30-68)98-94(99-92)75-34-19-32-73(52-75)82-36-20-38-89-90(82)85-60-72(48-50-88(85)104-89)71-47-49-87-84(59-71)83-35-16-17-37-86(83)103-87/h1-60H
InChIKeyLAQMVJLURFEPQY-UHFFFAOYSA-N
XLogP25.19
TPSA103.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.58
LogP ≤ 525.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-phenyl-4-(3-phenylphenyl)-6-[9-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952469
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4,6,8,12,15,17,19-nonaen-5-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146431417
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 170010934) is 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cccc(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccc%10oc%11ccc(-c%12ccc%13oc%14ccccc%14c%13c%12)cc%11c9%10)c8)n7)cc6)cc5)c4)nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is LAQMVJLURFEPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H60N6O2/c1-6-21-61(22-7-1)76-53-77(62-23-8-2-9-24-62)56-80(55-76)95-100-93(101-96(102-95)81-57-78(63-25-10-3-11-26-63)54-79(58-81)64-27-12-4-13-28-64)74-33-18-31-70(51-74)67-41-39-65(40-42-67)66-43-45-69(46-44-66)92-97-91(68-29-14-5-15-30-68)98-94(99-92)75-34-19-32-73(52-75)82-36-20-38-89-90(82)85-60-72(48-50-88(85)104-89)71-47-49-87-84(59-71)83-35-16-17-37-86(83)103-87/h1-60H.
What are the key properties of 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1329.58 g/mol, XLogP of 25.19, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170010934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).