2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine

C181H118N12 — CID 88886282

IUPAC2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(C5(c6cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/C181H118N12/c1-17-53-119(54-18-1)135-89-136(120-55-19-2-20-56-120)98-151(97-135)169-182-170(152-99-137(121-57-21-3-22-58-121)90-138(100-152)122-59-23-4-24-60-122)187-177(186-169)159-113-160(178-188-171(153-101-139(123-61-25-5-26-62-123)91-140(102-153)124-63-27-6-28-64-124)183-172(189-178)154-103-141(125-65-29-7-30-66-125)92-142(104-154)126-67-31-8-32-68-126)116-163(115-159)181(167-87-51-49-85-165(167)166-86-50-52-88-168(166)181)164-117-161(179-190-173(155-105-143(127-69-33-9-34-70-127)93-144(106-155)128-71-35-10-36-72-128)184-174(191-179)156-107-145(129-73-37-11-38-74-129)94-146(108-156)130-75-39-12-40-76-130)114-162(118-164)180-192-175(157-109-147(131-77-41-13-42-78-131)95-148(110-157)132-79-43-14-44-80-132)185-176(193-180)158-111-149(133-81-45-15-46-82-133)96-150(112-158)134-83-47-16-48-84-134/h1-118H
InChIKeyJSNHBGBTGUPZDE-UHFFFAOYSA-N
MW2461.02 g/mol
LogP45.47
Rot. Bonds30

About 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine

2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine (PubChem CID 88886282) has the molecular formula C181H118N12 and a molecular weight of 2461.02 g/mol. Its IUPAC name is 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
PubChem CID88886282
Molecular FormulaC181H118N12
Molecular Weight2461.02 g/mol
Exact Mass2458.96
IUPAC Name2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(C5(c6cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1
InChIInChI=1S/C181H118N12/c1-17-53-119(54-18-1)135-89-136(120-55-19-2-20-56-120)98-151(97-135)169-182-170(152-99-137(121-57-21-3-22-58-121)90-138(100-152)122-59-23-4-24-60-122)187-177(186-169)159-113-160(178-188-171(153-101-139(123-61-25-5-26-62-123)91-140(102-153)124-63-27-6-28-64-124)183-172(189-178)154-103-141(125-65-29-7-30-66-125)92-142(104-154)126-67-31-8-32-68-126)116-163(115-159)181(167-87-51-49-85-165(167)166-86-50-52-88-168(166)181)164-117-161(179-190-173(155-105-143(127-69-33-9-34-70-127)93-144(106-155)128-71-35-10-36-72-128)184-174(191-179)156-107-145(129-73-37-11-38-74-129)94-146(108-156)130-75-39-12-40-76-130)114-162(118-164)180-192-175(157-109-147(131-77-41-13-42-78-131)95-148(110-157)132-79-43-14-44-80-132)185-176(193-180)158-111-149(133-81-45-15-46-82-133)96-150(112-158)134-83-47-16-48-84-134/h1-118H
InChIKeyJSNHBGBTGUPZDE-UHFFFAOYSA-N
XLogP45.47
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.02
LogP ≤ 545.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

10,10-bis[3,5-bis[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one;10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
CID 161397608
10,10-bis[3,5-bis[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]anthracen-9-one
CID 88886351
2-(3,5-diphenylphenyl)-4-[9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]fluoren-9-yl]-6-phenyl-1,3,5-triazine
CID 170367767
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153288047
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine
CID 160651917

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine (CID 88886282) is 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cc(-c5nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n5)cc(C5(c6cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)cc(-c7nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)nc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)n7)c6)c6ccccc6-c6ccccc65)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine?
The InChIKey is JSNHBGBTGUPZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C181H118N12/c1-17-53-119(54-18-1)135-89-136(120-55-19-2-20-56-120)98-151(97-135)169-182-170(152-99-137(121-57-21-3-22-58-121)90-138(100-152)122-59-23-4-24-60-122)187-177(186-169)159-113-160(178-188-171(153-101-139(123-61-25-5-26-62-123)91-140(102-153)124-63-27-6-28-64-124)183-172(189-178)154-103-141(125-65-29-7-30-66-125)92-142(104-154)126-67-31-8-32-68-126)116-163(115-159)181(167-87-51-49-85-165(167)166-86-50-52-88-168(166)181)164-117-161(179-190-173(155-105-143(127-69-33-9-34-70-127)93-144(106-155)128-71-35-10-36-72-128)184-174(191-179)156-107-145(129-73-37-11-38-74-129)94-146(108-156)130-75-39-12-40-76-130)114-162(118-164)180-192-175(157-109-147(131-77-41-13-42-78-131)95-148(110-157)132-79-43-14-44-80-132)185-176(193-180)158-111-149(133-81-45-15-46-82-133)96-150(112-158)134-83-47-16-48-84-134/h1-118H.
What are the key properties of 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine?
2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine has a molecular weight of 2461.02 g/mol, XLogP of 45.47, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[3,5-bis[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]-5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 88886282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).