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

C166H98F6N16 — CID 137381527

IUPAC3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(C4=CCC(c5cc(-c6ccccc6)nc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(-c%12ccccc%12)n%11)ccc%10c%10ccc(-c%11cccc(-c%12ccccc%12)n%11)cc%109)c8-c8c(C#N)cccc8C(F)(F)F)c7c6)c5)C(c5ccccc5)=N4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C166H98F6N16/c167-165(168,169)131-51-25-49-119(99-175)160(131)162-156(185-148-79-69-111(139-59-27-53-133(177-139)103-33-9-1-10-34-103)87-127(148)128-88-112(70-80-149(128)185)140-60-28-54-134(178-140)104-35-11-2-12-36-104)83-101(97-173)84-157(162)186-150-81-71-113(141-61-29-55-135(179-141)105-37-13-3-14-38-105)89-129(150)130-90-114(72-82-151(130)186)145-78-77-122(164(184-145)110-47-23-8-24-48-110)121-91-146(109-45-21-7-22-46-109)183-147(92-121)118-68-76-126-125-75-67-117(144-64-32-58-138(182-144)108-43-19-6-20-44-108)95-154(125)188(155(126)96-118)159-86-102(98-174)85-158(163(159)161-120(100-176)50-26-52-132(161)166(170,171)172)187-152-93-115(142-62-30-56-136(180-142)106-39-15-4-16-40-106)65-73-123(152)124-74-66-116(94-153(124)187)143-63-31-57-137(181-143)107-41-17-5-18-42-107/h1-76,78-96,122H,77H2
InChIKeyJVEHKEHPUVVCPD-UHFFFAOYSA-N
MW2430.71 g/mol
LogP42.05
Rot. Bonds23

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

3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137381527) has the molecular formula C166H98F6N16 and a molecular weight of 2430.71 g/mol. Its IUPAC name is 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137381527
Molecular FormulaC166H98F6N16
Molecular Weight2430.71 g/mol
Exact Mass2428.81
IUPAC Name3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccc(C4=CCC(c5cc(-c6ccccc6)nc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(-c%12ccccc%12)n%11)ccc%10c%10ccc(-c%11cccc(-c%12ccccc%12)n%11)cc%109)c8-c8c(C#N)cccc8C(F)(F)F)c7c6)c5)C(c5ccccc5)=N4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C166H98F6N16/c167-165(168,169)131-51-25-49-119(99-175)160(131)162-156(185-148-79-69-111(139-59-27-53-133(177-139)103-33-9-1-10-34-103)87-127(148)128-88-112(70-80-149(128)185)140-60-28-54-134(178-140)104-35-11-2-12-36-104)83-101(97-173)84-157(162)186-150-81-71-113(141-61-29-55-135(179-141)105-37-13-3-14-38-105)89-129(150)130-90-114(72-82-151(130)186)145-78-77-122(164(184-145)110-47-23-8-24-48-110)121-91-146(109-45-21-7-22-46-109)183-147(92-121)118-68-76-126-125-75-67-117(144-64-32-58-138(182-144)108-43-19-6-20-44-108)95-154(125)188(155(126)96-118)159-86-102(98-174)85-158(163(159)161-120(100-176)50-26-52-132(161)166(170,171)172)187-152-93-115(142-62-30-56-136(180-142)106-39-15-4-16-40-106)65-73-123(152)124-74-66-116(94-153(124)187)143-63-31-57-137(181-143)107-41-17-5-18-42-107/h1-76,78-96,122H,77H2
InChIKeyJVEHKEHPUVVCPD-UHFFFAOYSA-N
XLogP42.05
TPSA217.47 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.71
LogP ≤ 542.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile (CID 137381527) is 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccc(C4=CCC(c5cc(-c6ccccc6)nc(-c6ccc7c8ccc(-c9cccc(-c%10ccccc%10)n9)cc8n(-c8cc(C#N)cc(-n9c%10cc(-c%11cccc(-c%12ccccc%12)n%11)ccc%10c%10ccc(-c%11cccc(-c%12ccccc%12)n%11)cc%109)c8-c8c(C#N)cccc8C(F)(F)F)c7c6)c5)C(c5ccccc5)=N4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c(-c2c(C#N)cccc2C(F)(F)F)c(-n2c3ccc(-c4cccc(-c5ccccc5)n4)cc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is JVEHKEHPUVVCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H98F6N16/c167-165(168,169)131-51-25-49-119(99-175)160(131)162-156(185-148-79-69-111(139-59-27-53-133(177-139)103-33-9-1-10-34-103)87-127(148)128-88-112(70-80-149(128)185)140-60-28-54-134(178-140)104-35-11-2-12-36-104)83-101(97-173)84-157(162)186-150-81-71-113(141-61-29-55-135(179-141)105-37-13-3-14-38-105)89-129(150)130-90-114(72-82-151(130)186)145-78-77-122(164(184-145)110-47-23-8-24-48-110)121-91-146(109-45-21-7-22-46-109)183-147(92-121)118-68-76-126-125-75-67-117(144-64-32-58-138(182-144)108-43-19-6-20-44-108)95-154(125)188(155(126)96-118)159-86-102(98-174)85-158(163(159)161-120(100-176)50-26-52-132(161)166(170,171)172)187-152-93-115(142-62-30-56-136(180-142)106-39-15-4-16-40-106)65-73-123(152)124-74-66-116(94-153(124)187)143-63-31-57-137(181-143)107-41-17-5-18-42-107/h1-76,78-96,122H,77H2.
What are the key properties of 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile?
3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2430.71 g/mol, XLogP of 42.05, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-[3-[3-[2-[9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-cyano-2-[2-cyano-6-(trifluoromethyl)phenyl]phenyl]-7-(6-phenyl-2-pyridinyl)carbazol-2-yl]-6-phenyl-4-pyridinyl]-2-phenyl-3,4-dihydropyridin-6-yl]-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137381527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).