2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

C142H102N6 — CID 123630226

IUPAC2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2C(c2cccc(-c3cccc(-c4nc(-c5cccc(C6=CC(c7ccccc7)CC(c7ccccc7)=C6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)C2C=CC=CC21
InChIInChI=1S/C142H102N6/c1-141(2)131-71-27-29-73-133(131)142(134-74-30-28-72-132(134)141,129-69-37-61-109(93-129)103-55-31-63-111(75-103)135-143-137(113-65-33-57-105(77-113)125-85-117(95-39-11-3-12-40-95)81-118(86-125)96-41-13-4-14-42-96)147-138(144-135)114-66-34-58-106(78-114)126-87-119(97-43-15-5-16-44-97)82-120(88-126)98-45-17-6-18-46-98)130-70-38-62-110(94-130)104-56-32-64-112(76-104)136-145-139(115-67-35-59-107(79-115)127-89-121(99-47-19-7-20-48-99)83-122(90-127)100-49-21-8-22-50-100)148-140(146-136)116-68-36-60-108(80-116)128-91-123(101-51-23-9-24-52-101)84-124(92-128)102-53-25-10-26-54-102/h3-83,85-94,123,131,133H,84H2,1-2H3
InChIKeyVPKQUOQNXIMJAS-UHFFFAOYSA-N
MW1892.42 g/mol
LogP36.03
Rot. Bonds22

About 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine

2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 123630226) has the molecular formula C142H102N6 and a molecular weight of 1892.42 g/mol. Its IUPAC name is 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
PubChem CID123630226
Molecular FormulaC142H102N6
Molecular Weight1892.42 g/mol
Exact Mass1890.82
IUPAC Name2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2C(c2cccc(-c3cccc(-c4nc(-c5cccc(C6=CC(c7ccccc7)CC(c7ccccc7)=C6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)C2C=CC=CC21
InChIInChI=1S/C142H102N6/c1-141(2)131-71-27-29-73-133(131)142(134-74-30-28-72-132(134)141,129-69-37-61-109(93-129)103-55-31-63-111(75-103)135-143-137(113-65-33-57-105(77-113)125-85-117(95-39-11-3-12-40-95)81-118(86-125)96-41-13-4-14-42-96)147-138(144-135)114-66-34-58-106(78-114)126-87-119(97-43-15-5-16-44-97)82-120(88-126)98-45-17-6-18-46-98)130-70-38-62-110(94-130)104-56-32-64-112(76-104)136-145-139(115-67-35-59-107(79-115)127-89-121(99-47-19-7-20-48-99)83-122(90-127)100-49-21-8-22-50-100)148-140(146-136)116-68-36-60-108(80-116)128-91-123(101-51-23-9-24-52-101)84-124(92-128)102-53-25-10-26-54-102/h3-83,85-94,123,131,133H,84H2,1-2H3
InChIKeyVPKQUOQNXIMJAS-UHFFFAOYSA-N
XLogP36.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001892.42
LogP ≤ 536.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(3,5-diphenylphenyl)-2-[3-(2,3,5,6-tetraphenyl-4-pyridinyl)phenyl]pyrimidine
CID 167363865
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethylanthracen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886340
2-(3,5-diphenylcyclohexa-2,4-dien-1-yl)-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 135143843
2-[3-(3-methyl-5-triphenylen-2-ylcyclohexa-1,5-dien-1-yl)phenyl]-4,6-diphenylpyrimidine
CID 166797282
2-[3-[3-[9-[3-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]thioxanthen-9-yl]phenyl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
CID 88886322
1-[4-(3,5-diphenylcyclohexa-1,3-dien-1-yl)phenyl]-3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-5,7-di(triphenylen-2-yl)isoquinoline
CID 146332269
2-[3-[4-(9,9-dimethylthioxanthen-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163740436
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121311586
2,4-diphenyl-6-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606672
2,4-diphenyl-6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,5-triazine
CID 122470021
2-cyclohexa-2,4-dien-1-yl-4-[3-(9,9-diphenylxanthen-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388782
11-[4-[4-(3,5-diphenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 155179800

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine (CID 123630226) is 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is CC1(C)c2ccccc2C(c2cccc(-c3cccc(-c4nc(-c5cccc(C6=CC(c7ccccc7)CC(c7ccccc7)=C6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)(c2cccc(-c3cccc(-c4nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)nc(-c5cccc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5)n4)c3)c2)C2C=CC=CC21.
What is the InChIKey of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is VPKQUOQNXIMJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C142H102N6/c1-141(2)131-71-27-29-73-133(131)142(134-74-30-28-72-132(134)141,129-69-37-61-109(93-129)103-55-31-63-111(75-103)135-143-137(113-65-33-57-105(77-113)125-85-117(95-39-11-3-12-40-95)81-118(86-125)96-41-13-4-14-42-96)147-138(144-135)114-66-34-58-106(78-114)126-87-119(97-43-15-5-16-44-97)82-120(88-126)98-45-17-6-18-46-98)130-70-38-62-110(94-130)104-56-32-64-112(76-104)136-145-139(115-67-35-59-107(79-115)127-89-121(99-47-19-7-20-48-99)83-122(90-127)100-49-21-8-22-50-100)148-140(146-136)116-68-36-60-108(80-116)128-91-123(101-51-23-9-24-52-101)84-124(92-128)102-53-25-10-26-54-102/h3-83,85-94,123,131,133H,84H2,1-2H3.
What are the key properties of 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine?
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 1892.42 g/mol, XLogP of 36.03, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethyl-4a,9a-dihydroanthracen-9-yl]phenyl]phenyl]-4-[3-(3,5-diphenylcyclohexa-1,5-dien-1-yl)phenyl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 123630226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).