3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole

C192H148F9N15 — CID 138554657

IUPAC3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(C(C)(C)Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c(-c%11cc(C(F)(F)F)ccc%11-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c%10)n9)c8)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C192H148F9N15/c1-184(2,3)130-74-88-166-148(104-130)141-63-37-41-67-159(141)214(166)173-95-81-137(191(196,197)198)111-155(173)146-101-127(181-205-175(119-51-27-19-28-52-119)202-176(206-181)120-53-29-20-30-54-120)71-86-164(146)213-160-68-42-38-64-142(160)149-108-134(78-92-167(149)213)188(13,14)113-115-45-43-59-125(97-115)179-204-178(122-57-33-22-34-58-122)208-183(210-179)129-73-87-165(147(103-129)156-112-138(192(199,200)201)82-96-174(156)216-168-89-75-131(185(4,5)6)105-150(168)151-106-132(186(7,8)9)76-90-169(151)216)215-170-91-77-133(187(10,11)12)107-152(170)153-109-135(79-93-171(153)215)189(15,16)114-116-46-44-60-126(98-116)180-203-177(121-55-31-21-32-56-121)207-182(209-180)128-72-85-163(211-157-65-39-35-61-139(157)143-99-123(69-83-161(143)211)117-47-23-17-24-48-117)145(102-128)154-110-136(190(193,194)195)80-94-172(154)212-158-66-40-36-62-140(158)144-100-124(70-84-162(144)212)118-49-25-18-26-50-118/h17-112H,113-114H2,1-16H3
InChIKeyMPTOCRFESQLCKC-UHFFFAOYSA-N
MW2836.38 g/mol
LogP51.45
Rot. Bonds26

About 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole

3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole (PubChem CID 138554657) has the molecular formula C192H148F9N15 and a molecular weight of 2836.38 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
PubChem CID138554657
Molecular FormulaC192H148F9N15
Molecular Weight2836.38 g/mol
Exact Mass2834.19
IUPAC Name3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(C(C)(C)Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c(-c%11cc(C(F)(F)F)ccc%11-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c%10)n9)c8)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c5)n4)c3)ccc21
InChIInChI=1S/C192H148F9N15/c1-184(2,3)130-74-88-166-148(104-130)141-63-37-41-67-159(141)214(166)173-95-81-137(191(196,197)198)111-155(173)146-101-127(181-205-175(119-51-27-19-28-52-119)202-176(206-181)120-53-29-20-30-54-120)71-86-164(146)213-160-68-42-38-64-142(160)149-108-134(78-92-167(149)213)188(13,14)113-115-45-43-59-125(97-115)179-204-178(122-57-33-22-34-58-122)208-183(210-179)129-73-87-165(147(103-129)156-112-138(192(199,200)201)82-96-174(156)216-168-89-75-131(185(4,5)6)105-150(168)151-106-132(186(7,8)9)76-90-169(151)216)215-170-91-77-133(187(10,11)12)107-152(170)153-109-135(79-93-171(153)215)189(15,16)114-116-46-44-60-126(98-116)180-203-177(121-55-31-21-32-56-121)207-182(209-180)128-72-85-163(211-157-65-39-35-61-139(157)143-99-123(69-83-161(143)211)117-47-23-17-24-48-117)145(102-128)154-110-136(190(193,194)195)80-94-172(154)212-158-66-40-36-62-140(158)144-100-124(70-84-162(144)212)118-49-25-18-26-50-118/h17-112H,113-114H2,1-16H3
InChIKeyMPTOCRFESQLCKC-UHFFFAOYSA-N
XLogP51.45
TPSA145.59 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002836.38
LogP ≤ 551.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole (CID 138554657) is 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc(C(C)(C)Cc3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cccc(-c9nc(-c%10ccccc%10)nc(-c%10ccc(-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c(-c%11cc(C(F)(F)F)ccc%11-n%11c%12ccccc%12c%12cc(-c%13ccccc%13)ccc%12%11)c%10)n9)c8)ccc76)c(-c6cc(C(F)(F)F)ccc6-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)C)ccc76)c5)n4)c3)ccc21.
What is the InChIKey of 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
The InChIKey is MPTOCRFESQLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C192H148F9N15/c1-184(2,3)130-74-88-166-148(104-130)141-63-37-41-67-159(141)214(166)173-95-81-137(191(196,197)198)111-155(173)146-101-127(181-205-175(119-51-27-19-28-52-119)202-176(206-181)120-53-29-20-30-54-120)71-86-164(146)213-160-68-42-38-64-142(160)149-108-134(78-92-167(149)213)188(13,14)113-115-45-43-59-125(97-115)179-204-178(122-57-33-22-34-58-122)208-183(210-179)129-73-87-165(147(103-129)156-112-138(192(199,200)201)82-96-174(156)216-168-89-75-131(185(4,5)6)105-150(168)151-106-132(186(7,8)9)76-90-169(151)216)215-170-91-77-133(187(10,11)12)107-152(170)153-109-135(79-93-171(153)215)189(15,16)114-116-46-44-60-126(98-116)180-203-177(121-55-31-21-32-56-121)207-182(209-180)128-72-85-163(211-157-65-39-35-61-139(157)143-99-123(69-83-161(143)211)117-47-23-17-24-48-117)145(102-128)154-110-136(190(193,194)195)80-94-172(154)212-158-66-40-36-62-140(158)144-100-124(70-84-162(144)212)118-49-25-18-26-50-118/h17-112H,113-114H2,1-16H3.
What are the key properties of 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole?
3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2836.38 g/mol, XLogP of 51.45, 26 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[2-[5-[4-[3-[2-[9-[2-[2-(3-tert-butylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2-methylpropyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-tert-butyl-6-[2-methyl-1-[3-[4-phenyl-6-[4-(3-phenylcarbazol-9-yl)-3-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]propan-2-yl]carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 138554657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).