2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

C136H74N16 — CID 146266109

IUPAC2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cnccc1-c1ccc(-c2cc(-c3ccc(-c4ccncc4-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c(-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C136H74N16/c137-73-94-22-4-12-30-102(94)84-40-50-124-114(62-84)115-63-85(103-31-13-5-23-95(103)74-138)41-51-125(115)149(124)132-70-92(38-48-110(132)112-58-60-145-81-134(112)151-128-54-44-88(106-34-16-8-26-98(106)77-141)66-118(128)119-67-89(45-55-129(119)151)107-35-17-9-27-99(107)78-142)122-72-123(148-136(147-122)83-20-2-1-3-21-83)93-39-49-111(133(71-93)150-126-52-42-86(104-32-14-6-24-96(104)75-139)64-116(126)117-65-87(43-53-127(117)150)105-33-15-7-25-97(105)76-140)113-59-61-146-82-135(113)152-130-56-46-90(108-36-18-10-28-100(108)79-143)68-120(130)121-69-91(47-57-131(121)152)109-37-19-11-29-101(109)80-144/h1-72,81-82H
InChIKeyLBFYXXAUHWQKIV-UHFFFAOYSA-N
MW1932.20 g/mol
LogP32.30
Rot. Bonds17

About 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile

2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (PubChem CID 146266109) has the molecular formula C136H74N16 and a molecular weight of 1932.20 g/mol. Its IUPAC name is 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
PubChem CID146266109
Molecular FormulaC136H74N16
Molecular Weight1932.20 g/mol
Exact Mass1930.63
IUPAC Name2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cnccc1-c1ccc(-c2cc(-c3ccc(-c4ccncc4-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c(-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21
InChIInChI=1S/C136H74N16/c137-73-94-22-4-12-30-102(94)84-40-50-124-114(62-84)115-63-85(103-31-13-5-23-95(103)74-138)41-51-125(115)149(124)132-70-92(38-48-110(132)112-58-60-145-81-134(112)151-128-54-44-88(106-34-16-8-26-98(106)77-141)66-118(128)119-67-89(45-55-129(119)151)107-35-17-9-27-99(107)78-142)122-72-123(148-136(147-122)83-20-2-1-3-21-83)93-39-49-111(133(71-93)150-126-52-42-86(104-32-14-6-24-96(104)75-139)64-116(126)117-65-87(43-53-127(117)150)105-33-15-7-25-97(105)76-140)113-59-61-146-82-135(113)152-130-56-46-90(108-36-18-10-28-100(108)79-143)68-120(130)121-69-91(47-57-131(121)152)109-37-19-11-29-101(109)80-144/h1-72,81-82H
InChIKeyLBFYXXAUHWQKIV-UHFFFAOYSA-N
XLogP32.30
TPSA261.60 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.20
LogP ≤ 532.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The IUPAC name of 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile (CID 146266109) is 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile.
What is the SMILES notation for 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The canonical SMILES for 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1cc(-c3ccccc3C#N)ccc1n2-c1cnccc1-c1ccc(-c2cc(-c3ccc(-c4ccncc4-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c(-n4c5ccc(-c6ccccc6C#N)cc5c5cc(-c6ccccc6C#N)ccc54)c3)nc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccccc3C#N)cc2c2cc(-c3ccccc3C#N)ccc21.
What is the InChIKey of 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
The InChIKey is LBFYXXAUHWQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H74N16/c137-73-94-22-4-12-30-102(94)84-40-50-124-114(62-84)115-63-85(103-31-13-5-23-95(103)74-138)41-51-125(115)149(124)132-70-92(38-48-110(132)112-58-60-145-81-134(112)151-128-54-44-88(106-34-16-8-26-98(106)77-141)66-118(128)119-67-89(45-55-129(119)151)107-35-17-9-27-99(107)78-142)122-72-123(148-136(147-122)83-20-2-1-3-21-83)93-39-49-111(133(71-93)150-126-52-42-86(104-32-14-6-24-96(104)75-139)64-116(126)117-65-87(43-53-127(117)150)105-33-15-7-25-97(105)76-140)113-59-61-146-82-135(113)152-130-56-46-90(108-36-18-10-28-100(108)79-143)68-120(130)121-69-91(47-57-131(121)152)109-37-19-11-29-101(109)80-144/h1-72,81-82H.
What are the key properties of 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile?
2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile has a molecular weight of 1932.20 g/mol, XLogP of 32.30, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[5-[6-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-2-phenylpyrimidin-4-yl]-2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile is sourced from PubChem (CID 146266109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).