2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine

C61H39N3S — CID 166690149

IUPAC2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
SMILESC1=Cc2c(c(-c3ccc4sc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4c3)c3ccccc3c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C61H39N3S/c1-4-19-38(20-5-1)54-42-25-10-14-29-46(42)56(47-30-15-11-26-43(47)54)51-34-18-33-50-52-37-41(35-36-53(52)65-58(50)51)55-44-27-12-16-31-48(44)57(49-32-17-13-28-45(49)55)61-63-59(39-21-6-2-7-22-39)62-60(64-61)40-23-8-3-9-24-40/h1-12,14-27,29-37H,13,28H2
InChIKeyZXDOADOVPMGRQC-UHFFFAOYSA-N
MW846.07 g/mol
LogP16.66
Rot. Bonds6

About 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine

2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine (PubChem CID 166690149) has the molecular formula C61H39N3S and a molecular weight of 846.07 g/mol. Its IUPAC name is 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
PubChem CID166690149
Molecular FormulaC61H39N3S
Molecular Weight846.07 g/mol
Exact Mass845.29
IUPAC Name2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine
SMILESC1=Cc2c(c(-c3ccc4sc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4c3)c3ccccc3c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1
InChIInChI=1S/C61H39N3S/c1-4-19-38(20-5-1)54-42-25-10-14-29-46(42)56(47-30-15-11-26-43(47)54)51-34-18-33-50-52-37-41(35-36-53(52)65-58(50)51)55-44-27-12-16-31-48(44)57(49-32-17-13-28-45(49)55)61-63-59(39-21-6-2-7-22-39)62-60(64-61)40-23-8-3-9-24-40/h1-12,14-27,29-37H,13,28H2
InChIKeyZXDOADOVPMGRQC-UHFFFAOYSA-N
XLogP16.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
9-phenyl-3-[10-[7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]dibenzothiophen-4-yl]-1,2-dihydroanthracen-9-yl]carbazole
CID 166689866
6-(10-cyclohexa-1,3-dien-1-ylanthracen-9-yl)-2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 166690234
2-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952783
2-[10-(3,5-diphenylphenyl)-3,4-dihydroanthracen-9-yl]dibenzothiophene;ethane
CID 142424800
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 155763933
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442256
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
2-(2-dibenzothiophen-4-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-9-yl)-6-phenyl-1,3,5-triazine
CID 167007336
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-dibenzothiophen-4-yl-4-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161003212
2,4-diphenyl-6-[8-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 155328822

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine (CID 166690149) is 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine is C1=Cc2c(c(-c3ccc4sc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4c3)c3ccccc3c2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine?
The InChIKey is ZXDOADOVPMGRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3S/c1-4-19-38(20-5-1)54-42-25-10-14-29-46(42)56(47-30-15-11-26-43(47)54)51-34-18-33-50-52-37-41(35-36-53(52)65-58(50)51)55-44-27-12-16-31-48(44)57(49-32-17-13-28-45(49)55)61-63-59(39-21-6-2-7-22-39)62-60(64-61)40-23-8-3-9-24-40/h1-12,14-27,29-37H,13,28H2.
What are the key properties of 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine?
2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine has a molecular weight of 846.07 g/mol, XLogP of 16.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[10-[6-(10-phenylanthracen-9-yl)dibenzothiophen-2-yl]-3,4-dihydroanthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 166690149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).