2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

C122H74F6N10 — CID 137386823

IUPAC2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccccc4C(F)(F)F)cc3-n3c4cc(C)ccc4c4c(-c5ccc(-c6ccc7c(c6)c6cc(-c8cccnc8-c8ccccc8)ccc6n7-c6cc(-c7ccccc7C(F)(F)F)cc(-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9cccnc9-c9ccccc9)ccc87)c6C#N)c(-c6ccccc6)n5)cccc43)c2c1
InChIInChI=1S/C122H74F6N10/c1-73-44-50-92-91-35-17-20-42-104(91)137(110(92)61-73)114-69-84(71-129)95(90-34-16-19-41-102(90)122(126,127)128)70-115(114)138-109-43-21-36-93(116(109)94-51-45-74(2)62-111(94)138)103-53-52-89(120(134-103)78-31-13-6-14-32-78)82-49-57-108-99(66-82)98-65-81(88-39-24-60-133-119(88)77-29-11-5-12-30-77)48-56-107(98)136(108)113-68-83(85-33-15-18-40-101(85)121(123,124)125)67-112(100(113)72-130)135-105-54-46-79(86-37-22-58-131-117(86)75-25-7-3-8-26-75)63-96(105)97-64-80(47-55-106(97)135)87-38-23-59-132-118(87)76-27-9-4-10-28-76/h3-70H,1-2H3
InChIKeyBXPYOXRBOHBTTD-UHFFFAOYSA-N
MW1793.99 g/mol
LogP32.39
Rot. Bonds15

About 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile

2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386823) has the molecular formula C122H74F6N10 and a molecular weight of 1793.99 g/mol. Its IUPAC name is 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386823
Molecular FormulaC122H74F6N10
Molecular Weight1793.99 g/mol
Exact Mass1792.60
IUPAC Name2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccccc4C(F)(F)F)cc3-n3c4cc(C)ccc4c4c(-c5ccc(-c6ccc7c(c6)c6cc(-c8cccnc8-c8ccccc8)ccc6n7-c6cc(-c7ccccc7C(F)(F)F)cc(-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9cccnc9-c9ccccc9)ccc87)c6C#N)c(-c6ccccc6)n5)cccc43)c2c1
InChIInChI=1S/C122H74F6N10/c1-73-44-50-92-91-35-17-20-42-104(91)137(110(92)61-73)114-69-84(71-129)95(90-34-16-19-41-102(90)122(126,127)128)70-115(114)138-109-43-21-36-93(116(109)94-51-45-74(2)62-111(94)138)103-53-52-89(120(134-103)78-31-13-6-14-32-78)82-49-57-108-99(66-82)98-65-81(88-39-24-60-133-119(88)77-29-11-5-12-30-77)48-56-107(98)136(108)113-68-83(85-33-15-18-40-101(85)121(123,124)125)67-112(100(113)72-130)135-105-54-46-79(86-37-22-58-131-117(86)75-25-7-3-8-26-75)63-96(105)97-64-80(47-55-106(97)135)87-38-23-59-132-118(87)76-27-9-4-10-28-76/h3-70H,1-2H3
InChIKeyBXPYOXRBOHBTTD-UHFFFAOYSA-N
XLogP32.39
TPSA118.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001793.99
LogP ≤ 532.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386823) is 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is Cc1ccc2c3ccccc3n(-c3cc(C#N)c(-c4ccccc4C(F)(F)F)cc3-n3c4cc(C)ccc4c4c(-c5ccc(-c6ccc7c(c6)c6cc(-c8cccnc8-c8ccccc8)ccc6n7-c6cc(-c7ccccc7C(F)(F)F)cc(-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9cccnc9-c9ccccc9)ccc87)c6C#N)c(-c6ccccc6)n5)cccc43)c2c1.
What is the InChIKey of 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BXPYOXRBOHBTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H74F6N10/c1-73-44-50-92-91-35-17-20-42-104(91)137(110(92)61-73)114-69-84(71-129)95(90-34-16-19-41-102(90)122(126,127)128)70-115(114)138-109-43-21-36-93(116(109)94-51-45-74(2)62-111(94)138)103-53-52-89(120(134-103)78-31-13-6-14-32-78)82-49-57-108-99(66-82)98-65-81(88-39-24-60-133-119(88)77-29-11-5-12-30-77)48-56-107(98)136(108)113-68-83(85-33-15-18-40-101(85)121(123,124)125)67-112(100(113)72-130)135-105-54-46-79(86-37-22-58-131-117(86)75-25-7-3-8-26-75)63-96(105)97-64-80(47-55-106(97)135)87-38-23-59-132-118(87)76-27-9-4-10-28-76/h3-70H,1-2H3.
What are the key properties of 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile?
2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1793.99 g/mol, XLogP of 32.39, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[9-[4-cyano-2-(2-methylcarbazol-9-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]-7-methylcarbazol-4-yl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).