3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile

C183H107F9N16 — CID 146393830

IUPAC3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-n3c4c(c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9c(c%10ccccc%108)C=CCC9)ccc6n7-c6cnc(-n7c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6-c6cc(C#N)cc(C(F)(F)F)c6)ccc53)C=CC(c3ccccc3)C4)ncc2-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cn4)cc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C183H107F9N16/c184-181(185,186)125-80-107(101-193)77-122(83-125)142-98-178(196-104-175(142)203-162-52-28-20-44-139(162)146-86-114(55-68-164(146)203)110-29-5-1-6-30-110)206-169-70-56-115(111-31-7-2-8-32-111)87-149(169)150-91-119(60-72-170(150)206)117-58-69-165-147(89-117)140-65-53-120(112-33-9-3-10-34-112)92-173(140)205(165)177-106-198-180(100-144(177)124-79-109(103-195)82-127(85-124)183(190,191)192)208-168-71-59-118(90-148(168)141-66-54-121(93-174(141)208)113-35-11-4-12-36-113)116-57-67-163-145(88-116)138-43-19-27-51-161(138)202(163)131-62-74-167-152(95-131)151-94-128(199-155-45-21-13-37-132(155)133-38-14-22-46-156(133)199)61-73-166(151)204(167)176-105-197-179(99-143(176)123-78-108(102-194)81-126(84-123)182(187,188)189)207-171-75-63-129(200-157-47-23-15-39-134(157)135-40-16-24-48-158(135)200)96-153(171)154-97-130(64-76-172(154)207)201-159-49-25-17-41-136(159)137-42-18-26-50-160(137)201/h1-21,23-45,47-92,94-100,104-106,121H,22,46,93H2
InChIKeyAGUIXEKQRUPJGO-UHFFFAOYSA-N
MW2700.96 g/mol
LogP47.86
Rot. Bonds19

About 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile

3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (PubChem CID 146393830) has the molecular formula C183H107F9N16 and a molecular weight of 2700.96 g/mol. Its IUPAC name is 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
PubChem CID146393830
Molecular FormulaC183H107F9N16
Molecular Weight2700.96 g/mol
Exact Mass2698.87
IUPAC Name3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(-c2cc(-n3c4c(c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9c(c%10ccccc%108)C=CCC9)ccc6n7-c6cnc(-n7c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6-c6cc(C#N)cc(C(F)(F)F)c6)ccc53)C=CC(c3ccccc3)C4)ncc2-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cn4)cc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C183H107F9N16/c184-181(185,186)125-80-107(101-193)77-122(83-125)142-98-178(196-104-175(142)203-162-52-28-20-44-139(162)146-86-114(55-68-164(146)203)110-29-5-1-6-30-110)206-169-70-56-115(111-31-7-2-8-32-111)87-149(169)150-91-119(60-72-170(150)206)117-58-69-165-147(89-117)140-65-53-120(112-33-9-3-10-34-112)92-173(140)205(165)177-106-198-180(100-144(177)124-79-109(103-195)82-127(85-124)183(190,191)192)208-168-71-59-118(90-148(168)141-66-54-121(93-174(141)208)113-35-11-4-12-36-113)116-57-67-163-145(88-116)138-43-19-27-51-161(138)202(163)131-62-74-167-152(95-131)151-94-128(199-155-45-21-13-37-132(155)133-38-14-22-46-156(133)199)61-73-166(151)204(167)176-105-197-179(99-143(176)123-78-108(102-194)81-126(84-123)182(187,188)189)207-171-75-63-129(200-157-47-23-15-39-134(157)135-40-16-24-48-158(135)200)96-153(171)154-97-130(64-76-172(154)207)201-159-49-25-17-41-136(159)137-42-18-26-50-160(137)201/h1-21,23-45,47-92,94-100,104-106,121H,22,46,93H2
InChIKeyAGUIXEKQRUPJGO-UHFFFAOYSA-N
XLogP47.86
TPSA159.34 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002700.96
LogP ≤ 547.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile 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-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile (CID 146393830) is 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is N#Cc1cc(-c2cc(-n3c4c(c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9c(c%10ccccc%108)C=CCC9)ccc6n7-c6cnc(-n7c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c8cc(-n9c%10ccccc%10c%10ccccc%109)ccc87)cc6-c6cc(C#N)cc(C(F)(F)F)c6)ccc53)C=CC(c3ccccc3)C4)ncc2-n2c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4cc(-c5cc(C#N)cc(C(F)(F)F)c5)c(-n5c6ccccc6c6cc(-c7ccccc7)ccc65)cn4)cc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
The InChIKey is AGUIXEKQRUPJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C183H107F9N16/c184-181(185,186)125-80-107(101-193)77-122(83-125)142-98-178(196-104-175(142)203-162-52-28-20-44-139(162)146-86-114(55-68-164(146)203)110-29-5-1-6-30-110)206-169-70-56-115(111-31-7-2-8-32-111)87-149(169)150-91-119(60-72-170(150)206)117-58-69-165-147(89-117)140-65-53-120(112-33-9-3-10-34-112)92-173(140)205(165)177-106-198-180(100-144(177)124-79-109(103-195)82-127(85-124)183(190,191)192)208-168-71-59-118(90-148(168)141-66-54-121(93-174(141)208)113-35-11-4-12-36-113)116-57-67-163-145(88-116)138-43-19-27-51-161(138)202(163)131-62-74-167-152(95-131)151-94-128(199-155-45-21-13-37-132(155)133-38-14-22-46-156(133)199)61-73-166(151)204(167)176-105-197-179(99-143(176)123-78-108(102-194)81-126(84-123)182(187,188)189)207-171-75-63-129(200-157-47-23-15-39-134(157)135-40-16-24-48-158(135)200)96-153(171)154-97-130(64-76-172(154)207)201-159-49-25-17-41-136(159)137-42-18-26-50-160(137)201/h1-21,23-45,47-92,94-100,104-106,121H,22,46,93H2.
What are the key properties of 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile?
3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile has a molecular weight of 2700.96 g/mol, XLogP of 47.86, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[9-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-6-[3,6-di(carbazol-9-yl)carbazol-9-yl]-3-pyridinyl]-6-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]carbazol-3-yl]-2-phenyl-1,2-dihydrocarbazol-9-yl]-5-[6-[9-[4-[3-cyano-5-(trifluoromethyl)phenyl]-5-(3-phenylcarbazol-9-yl)-2-pyridinyl]-6-phenylcarbazol-3-yl]-2-phenylcarbazol-9-yl]-4-pyridinyl]-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 146393830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).