2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

C147H99N3 — CID 121264855

IUPAC2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc(-c6ccccc6-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3)c2)cc1
InChIInChI=1S/C147H99N3/c1-13-41-100(42-14-1)117-75-118(101-43-15-2-16-44-101)82-129(81-117)112-65-39-67-114(73-112)145-148-146(115-68-40-66-113(74-115)130-83-119(102-45-17-3-18-46-102)76-120(84-130)103-47-19-4-20-48-103)150-147(149-145)116-71-72-143(144(99-116)140-97-137(133-89-125(108-57-29-9-30-58-108)79-126(90-133)109-59-31-10-32-60-109)94-138(98-140)134-91-127(110-61-33-11-34-62-110)80-128(92-134)111-63-35-12-36-64-111)142-70-38-37-69-141(142)139-95-135(131-85-121(104-49-21-5-22-50-104)77-122(86-131)105-51-23-6-24-52-105)93-136(96-139)132-87-123(106-53-25-7-26-54-106)78-124(88-132)107-55-27-8-28-56-107/h1-99H
InChIKeyJRZMONYRHNHLIH-UHFFFAOYSA-N
MW1907.43 g/mol
LogP39.88
Rot. Bonds24

About 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 121264855) has the molecular formula C147H99N3 and a molecular weight of 1907.43 g/mol. Its IUPAC name is 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID121264855
Molecular FormulaC147H99N3
Molecular Weight1907.43 g/mol
Exact Mass1905.78
IUPAC Name2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc(-c6ccccc6-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3)c2)cc1
InChIInChI=1S/C147H99N3/c1-13-41-100(42-14-1)117-75-118(101-43-15-2-16-44-101)82-129(81-117)112-65-39-67-114(73-112)145-148-146(115-68-40-66-113(74-115)130-83-119(102-45-17-3-18-46-102)76-120(84-130)103-47-19-4-20-48-103)150-147(149-145)116-71-72-143(144(99-116)140-97-137(133-89-125(108-57-29-9-30-58-108)79-126(90-133)109-59-31-10-32-60-109)94-138(98-140)134-91-127(110-61-33-11-34-62-110)80-128(92-134)111-63-35-12-36-64-111)142-70-38-37-69-141(142)139-95-135(131-85-121(104-49-21-5-22-50-104)77-122(86-131)105-51-23-6-24-52-105)93-136(96-139)132-87-123(106-53-25-7-26-54-106)78-124(88-132)107-55-27-8-28-56-107/h1-99H
InChIKeyJRZMONYRHNHLIH-UHFFFAOYSA-N
XLogP39.88
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001907.43
LogP ≤ 539.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-(2,5-diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 171052590
2-(2,5-diphenylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052606
2-(3-phenylphenyl)-4-[2-(2-phenylphenyl)phenyl]-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052348
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 159286796
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (CID 121264855) is 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5ccc(-c6ccccc6-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c(-c6cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)cc(-c7cc(-c8ccccc8)cc(-c8ccccc8)c7)c6)c5)n4)c3)c2)cc1.
What is the InChIKey of 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is JRZMONYRHNHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C147H99N3/c1-13-41-100(42-14-1)117-75-118(101-43-15-2-16-44-101)82-129(81-117)112-65-39-67-114(73-112)145-148-146(115-68-40-66-113(74-115)130-83-119(102-45-17-3-18-46-102)76-120(84-130)103-47-19-4-20-48-103)150-147(149-145)116-71-72-143(144(99-116)140-97-137(133-89-125(108-57-29-9-30-58-108)79-126(90-133)109-59-31-10-32-60-109)94-138(98-140)134-91-127(110-61-33-11-34-62-110)80-128(92-134)111-63-35-12-36-64-111)142-70-38-37-69-141(142)139-95-135(131-85-121(104-49-21-5-22-50-104)77-122(86-131)105-51-23-6-24-52-105)93-136(96-139)132-87-123(106-53-25-7-26-54-106)78-124(88-132)107-55-27-8-28-56-107/h1-99H.
What are the key properties of 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1907.43 g/mol, XLogP of 39.88, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,5-bis(3,5-diphenylphenyl)phenyl]-4-[2-[3,5-bis(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 121264855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).