12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole

C150H78F18N18O2 — CID 162571785

IUPAC12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncc(-c7ccc8c(c7)c7ccc9oc%10ccccc%10c9c7n8-c7cc(C(F)(F)F)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7cccc(C(F)(F)F)c7)cn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C(F)(F)F)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cccc(C(F)(F)F)c5)n4)ccc32)c1
InChIInChI=1S/C150H78F18N18O2/c151-145(152,153)90-21-11-18-80(60-90)131-121(181-111-29-6-2-25-97(111)106-64-83(38-46-114(106)181)139-169-51-14-52-170-139)71-93(148(160,161)162)72-122(131)182-112-30-7-3-26-98(112)107-65-84(39-47-115(107)182)144-177-59-50-110(180-144)109-66-88(70-120-134(109)103-42-36-87(142-175-57-17-58-176-142)69-119(103)184(120)124-74-94(149(163,164)165)73-123(132(124)81-19-12-22-91(61-81)146(154,155)156)183-117-67-85(140-171-53-15-54-172-140)34-40-99(117)100-41-35-86(68-118(100)183)141-173-55-16-56-174-141)143-178-77-89(78-179-143)79-37-45-116-108(63-79)102-44-49-130-136(105-28-5-10-33-128(105)188-130)138(102)186(116)126-76-95(150(166,167)168)75-125(133(126)82-20-13-23-92(62-82)147(157,158)159)185-113-31-8-1-24-96(113)101-43-48-129-135(137(101)185)104-27-4-9-32-127(104)187-129/h1-78H
InChIKeyYZUZKFQWTHTYHB-UHFFFAOYSA-N
MW2506.36 g/mol
LogP41.26
Rot. Bonds17

About 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole

12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 162571785) has the molecular formula C150H78F18N18O2 and a molecular weight of 2506.36 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole
PubChem CID162571785
Molecular FormulaC150H78F18N18O2
Molecular Weight2506.36 g/mol
Exact Mass2504.63
IUPAC Name12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole
SMILESFC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncc(-c7ccc8c(c7)c7ccc9oc%10ccccc%10c9c7n8-c7cc(C(F)(F)F)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7cccc(C(F)(F)F)c7)cn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C(F)(F)F)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cccc(C(F)(F)F)c5)n4)ccc32)c1
InChIInChI=1S/C150H78F18N18O2/c151-145(152,153)90-21-11-18-80(60-90)131-121(181-111-29-6-2-25-97(111)106-64-83(38-46-114(106)181)139-169-51-14-52-170-139)71-93(148(160,161)162)72-122(131)182-112-30-7-3-26-98(112)107-65-84(39-47-115(107)182)144-177-59-50-110(180-144)109-66-88(70-120-134(109)103-42-36-87(142-175-57-17-58-176-142)69-119(103)184(120)124-74-94(149(163,164)165)73-123(132(124)81-19-12-22-91(61-81)146(154,155)156)183-117-67-85(140-171-53-15-54-172-140)34-40-99(117)100-41-35-86(68-118(100)183)141-173-55-16-56-174-141)143-178-77-89(78-179-143)79-37-45-116-108(63-79)102-44-49-130-136(105-28-5-10-33-128(105)188-130)138(102)186(116)126-76-95(150(166,167)168)75-125(133(126)82-20-13-23-92(62-82)147(157,158)159)185-113-31-8-1-24-96(113)101-43-48-129-135(137(101)185)104-27-4-9-32-127(104)187-129/h1-78H
InChIKeyYZUZKFQWTHTYHB-UHFFFAOYSA-N
XLogP41.26
TPSA210.54 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002506.36
LogP ≤ 541.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole (CID 162571785) is 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole is FC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4cc(-c5ncccn5)ccc43)cc(C(F)(F)F)cc2-n2c3ccccc3c3cc(-c4nccc(-c5cc(-c6ncc(-c7ccc8c(c7)c7ccc9oc%10ccccc%10c9c7n8-c7cc(C(F)(F)F)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7cccc(C(F)(F)F)c7)cn6)cc6c5c5ccc(-c7ncccn7)cc5n6-c5cc(C(F)(F)F)cc(-n6c7cc(-c8ncccn8)ccc7c7ccc(-c8ncccn8)cc76)c5-c5cccc(C(F)(F)F)c5)n4)ccc32)c1.
What is the InChIKey of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is YZUZKFQWTHTYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H78F18N18O2/c151-145(152,153)90-21-11-18-80(60-90)131-121(181-111-29-6-2-25-97(111)106-64-83(38-46-114(106)181)139-169-51-14-52-170-139)71-93(148(160,161)162)72-122(131)182-112-30-7-3-26-98(112)107-65-84(39-47-115(107)182)144-177-59-50-110(180-144)109-66-88(70-120-134(109)103-42-36-87(142-175-57-17-58-176-142)69-119(103)184(120)124-74-94(149(163,164)165)73-123(132(124)81-19-12-22-91(61-81)146(154,155)156)183-117-67-85(140-171-53-15-54-172-140)34-40-99(117)100-41-35-86(68-118(100)183)141-173-55-16-56-174-141)143-178-77-89(78-179-143)79-37-45-116-108(63-79)102-44-49-130-136(105-28-5-10-33-128(105)188-130)138(102)186(116)126-76-95(150(166,167)168)75-125(133(126)82-20-13-23-92(62-82)147(157,158)159)185-113-31-8-1-24-96(113)101-43-48-129-135(137(101)185)104-27-4-9-32-127(104)187-129/h1-78H.
What are the key properties of 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole?
12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole has a molecular weight of 2506.36 g/mol, XLogP of 41.26, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-9-[2-[9-[3-[2,7-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-7-pyrimidin-2-yl-4-[2-[9-[3-(3-pyrimidin-2-ylcarbazol-9-yl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]pyrimidin-4-yl]carbazol-2-yl]pyrimidin-5-yl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 162571785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).