3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole

C146H114F9N9 — CID 155216786

IUPAC3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C)cc3c3cc(CCC(C)(C)c4ccc5c6ccccc6n(-c6cc(C(F)(F)F)cc(-n7c8ccccc8c8ccc(C(C)(C)CCC(C)(C)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(F)(F)F)cc(-n%10c%11ccccc%11c%11cc(C(C)(C)C)ccc%11%10)c9-c9cccc(-c%10ccccc%10)n9)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C146H114F9N9/c1-87-53-63-123-107(73-87)108-74-88(2)54-64-124(108)161(123)133-83-99(145(150,151)152)84-134(138(133)117-47-31-44-114(157-117)92-35-18-14-19-36-92)162-125-65-55-89(3)75-109(125)110-76-90(56-66-126(110)162)69-70-141(7,8)96-57-61-105-101-39-22-26-49-119(101)163(129(105)79-96)135-85-100(146(153,154)155)86-136(139(135)118-48-32-45-115(158-118)93-37-20-15-21-38-93)164-120-50-27-23-40-102(120)106-62-58-97(80-130(106)164)143(11,12)72-71-142(9,10)95-60-68-128-112(78-95)104-42-25-29-52-122(104)160(128)132-82-98(144(147,148)149)81-131(137(132)116-46-30-43-113(156-116)91-33-16-13-17-34-91)159-121-51-28-24-41-103(121)111-77-94(140(4,5)6)59-67-127(111)159/h13-68,73-86H,69-72H2,1-12H3
InChIKeyQOSXPHBCRZYJMI-UHFFFAOYSA-N
MW2165.56 g/mol
LogP40.68
Rot. Bonds21

About 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole

3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole (PubChem CID 155216786) has the molecular formula C146H114F9N9 and a molecular weight of 2165.56 g/mol. Its IUPAC name is 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole.

Molecular Properties

Compound Name3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole
PubChem CID155216786
Molecular FormulaC146H114F9N9
Molecular Weight2165.56 g/mol
Exact Mass2163.91
IUPAC Name3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C)cc3c3cc(CCC(C)(C)c4ccc5c6ccccc6n(-c6cc(C(F)(F)F)cc(-n7c8ccccc8c8ccc(C(C)(C)CCC(C)(C)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(F)(F)F)cc(-n%10c%11ccccc%11c%11cc(C(C)(C)C)ccc%11%10)c9-c9cccc(-c%10ccccc%10)n9)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1-c1cccc(-c2ccccc2)n1
InChIInChI=1S/C146H114F9N9/c1-87-53-63-123-107(73-87)108-74-88(2)54-64-124(108)161(123)133-83-99(145(150,151)152)84-134(138(133)117-47-31-44-114(157-117)92-35-18-14-19-36-92)162-125-65-55-89(3)75-109(125)110-76-90(56-66-126(110)162)69-70-141(7,8)96-57-61-105-101-39-22-26-49-119(101)163(129(105)79-96)135-85-100(146(153,154)155)86-136(139(135)118-48-32-45-115(158-118)93-37-20-15-21-38-93)164-120-50-27-23-40-102(120)106-62-58-97(80-130(106)164)143(11,12)72-71-142(9,10)95-60-68-128-112(78-95)104-42-25-29-52-122(104)160(128)132-82-98(144(147,148)149)81-131(137(132)116-46-30-43-113(156-116)91-33-16-13-17-34-91)159-121-51-28-24-41-103(121)111-77-94(140(4,5)6)59-67-127(111)159/h13-68,73-86H,69-72H2,1-12H3
InChIKeyQOSXPHBCRZYJMI-UHFFFAOYSA-N
XLogP40.68
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002165.56
LogP ≤ 540.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole with MolForge

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Related Compounds

2-methyl-9-[3-(2-methylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216454
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole
CID 155216705
2-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]-7-[5-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazole
CID 156509701
5-[9-[3-[2-(3,5-dicyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155216668
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158163646
2-(6-tert-butyl-9-phenylcarbazol-2-yl)-9-[6-[2-[7-(6-tert-butyl-9-phenylcarbazol-2-yl)-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-2-methylpropyl]-9-phenylcarbazol-2-yl]-6-[2-methyl-1-[7-[6-methyl-2-(6-methyl-9-phenylcarbazol-2-yl)carbazol-9-yl]-9-phenylcarbazol-3-yl]propan-2-yl]carbazole
CID 137420903
2-[3-[[2-tert-butyl-9-[4-[2-[5-[9-[4-(3-tert-butylcarbazol-9-yl)-5-cyano-2-(3-cyanophenyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-5-cyano-2-(3-cyanophenyl)phenyl]carbazol-3-yl]methyl]-6-methylcarbazol-9-yl]-4-(3-cyanophenyl)-5-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 146237895
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-tert-butylcarbazole
CID 156511681
4-(6-phenyl-2-pyridinyl)-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155216444
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 161317622
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
4-(6-phenyl-2-pyridinyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146845706

Frequently Asked Questions

What is the IUPAC name of 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole?
The IUPAC name of 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole (CID 155216786) is 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole.
What is the SMILES notation for 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole?
The canonical SMILES for 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(C(F)(F)F)cc(-n2c3ccc(C)cc3c3cc(CCC(C)(C)c4ccc5c6ccccc6n(-c6cc(C(F)(F)F)cc(-n7c8ccccc8c8ccc(C(C)(C)CCC(C)(C)c9ccc%10c(c9)c9ccccc9n%10-c9cc(C(F)(F)F)cc(-n%10c%11ccccc%11c%11cc(C(C)(C)C)ccc%11%10)c9-c9cccc(-c%10ccccc%10)n9)cc87)c6-c6cccc(-c7ccccc7)n6)c5c4)ccc32)c1-c1cccc(-c2ccccc2)n1.
What is the InChIKey of 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole?
The InChIKey is QOSXPHBCRZYJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H114F9N9/c1-87-53-63-123-107(73-87)108-74-88(2)54-64-124(108)161(123)133-83-99(145(150,151)152)84-134(138(133)117-47-31-44-114(157-117)92-35-18-14-19-36-92)162-125-65-55-89(3)75-109(125)110-76-90(56-66-126(110)162)69-70-141(7,8)96-57-61-105-101-39-22-26-49-119(101)163(129(105)79-96)135-85-100(146(153,154)155)86-136(139(135)118-48-32-45-115(158-118)93-37-20-15-21-38-93)164-120-50-27-23-40-102(120)106-62-58-97(80-130(106)164)143(11,12)72-71-142(9,10)95-60-68-128-112(78-95)104-42-25-29-52-122(104)160(128)132-82-98(144(147,148)149)81-131(137(132)116-46-30-43-113(156-116)91-33-16-13-17-34-91)159-121-51-28-24-41-103(121)111-77-94(140(4,5)6)59-67-127(111)159/h13-68,73-86H,69-72H2,1-12H3.
What are the key properties of 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole?
3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole has a molecular weight of 2165.56 g/mol, XLogP of 40.68, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[9-[3-[2-[5-[9-[3-(3-tert-butylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-3-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazol-2-yl]-3-methylbutyl]-9-[3-(3,6-dimethylcarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]-6-methylcarbazole is sourced from PubChem (CID 155216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).