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

C182H108F9N15 — CID 137386717

IUPAC2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5cc(-c6cnc(-c7ccccc7)c(-c7ccc8c(c7)c7cc(-c9cccnc9-c9ccccc9)ccc7n8-c7cc(-c8ccccc8C(F)(F)F)c(C#N)cc7-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9ccc(-c%10ccc(-c%11cc(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)c(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)cc%11C#N)c(C(F)(F)F)c%10)nc9-c9ccccc9)ccc87)c6)c(C)cc54)c3C#N)c2c1
InChIInChI=1S/C182H108F9N15/c1-108-65-73-138-134-51-23-29-61-156(134)201(167(138)89-108)166-84-76-139(131-49-21-27-59-152(131)180(183,184)185)179(151(166)106-194)206-159-64-32-26-54-137(159)150-101-140(109(2)90-168(150)206)125-97-143(177(199-107-125)114-45-17-7-18-46-114)121-72-83-165-149(96-121)147-94-119(129-58-36-88-198-176(129)113-43-15-6-16-44-113)70-81-164(147)205(165)172-102-141(132-50-22-28-60-153(132)181(186,187)188)123(104-192)99-170(172)204-162-80-69-118(128-57-35-87-197-175(128)112-41-13-5-14-42-112)93-146(162)148-95-120(71-82-163(148)204)130-75-77-155(200-178(130)115-47-19-8-20-48-115)122-66-74-133(154(98-122)182(189,190)191)142-103-171(203-158-63-31-25-53-136(158)145-92-117(68-79-161(145)203)127-56-34-86-196-174(127)111-39-11-4-12-40-111)169(100-124(142)105-193)202-157-62-30-24-52-135(157)144-91-116(67-78-160(144)202)126-55-33-85-195-173(126)110-37-9-3-10-38-110/h3-103,107H,1-2H3
InChIKeyQQLAYEHNRARVKP-UHFFFAOYSA-N
MW2675.95 g/mol
LogP48.27
Rot. Bonds23

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

2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137386717) has the molecular formula C182H108F9N15 and a molecular weight of 2675.95 g/mol. Its IUPAC name is 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
PubChem CID137386717
Molecular FormulaC182H108F9N15
Molecular Weight2675.95 g/mol
Exact Mass2673.88
IUPAC Name2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile
SMILESCc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5cc(-c6cnc(-c7ccccc7)c(-c7ccc8c(c7)c7cc(-c9cccnc9-c9ccccc9)ccc7n8-c7cc(-c8ccccc8C(F)(F)F)c(C#N)cc7-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9ccc(-c%10ccc(-c%11cc(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)c(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)cc%11C#N)c(C(F)(F)F)c%10)nc9-c9ccccc9)ccc87)c6)c(C)cc54)c3C#N)c2c1
InChIInChI=1S/C182H108F9N15/c1-108-65-73-138-134-51-23-29-61-156(134)201(167(138)89-108)166-84-76-139(131-49-21-27-59-152(131)180(183,184)185)179(151(166)106-194)206-159-64-32-26-54-137(159)150-101-140(109(2)90-168(150)206)125-97-143(177(199-107-125)114-45-17-7-18-46-114)121-72-83-165-149(96-121)147-94-119(129-58-36-88-198-176(129)113-43-15-6-16-44-113)70-81-164(147)205(165)172-102-141(132-50-22-28-60-153(132)181(186,187)188)123(104-192)99-170(172)204-162-80-69-118(128-57-35-87-197-175(128)112-41-13-5-14-42-112)93-146(162)148-95-120(71-82-163(148)204)130-75-77-155(200-178(130)115-47-19-8-20-48-115)122-66-74-133(154(98-122)182(189,190)191)142-103-171(203-158-63-31-25-53-136(158)145-92-117(68-79-161(145)203)127-56-34-86-196-174(127)111-39-11-4-12-40-111)169(100-124(142)105-193)202-157-62-30-24-52-135(157)144-91-116(67-78-160(144)202)126-55-33-85-195-173(126)110-37-9-3-10-38-110/h3-103,107H,1-2H3
InChIKeyQQLAYEHNRARVKP-UHFFFAOYSA-N
XLogP48.27
TPSA178.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002675.95
LogP ≤ 548.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile (CID 137386717) is 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile is Cc1ccc2c3ccccc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-n4c5ccccc5c5cc(-c6cnc(-c7ccccc7)c(-c7ccc8c(c7)c7cc(-c9cccnc9-c9ccccc9)ccc7n8-c7cc(-c8ccccc8C(F)(F)F)c(C#N)cc7-n7c8ccc(-c9cccnc9-c9ccccc9)cc8c8cc(-c9ccc(-c%10ccc(-c%11cc(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)c(-n%12c%13ccccc%13c%13cc(-c%14cccnc%14-c%14ccccc%14)ccc%13%12)cc%11C#N)c(C(F)(F)F)c%10)nc9-c9ccccc9)ccc87)c6)c(C)cc54)c3C#N)c2c1.
What is the InChIKey of 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is QQLAYEHNRARVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C182H108F9N15/c1-108-65-73-138-134-51-23-29-61-156(134)201(167(138)89-108)166-84-76-139(131-49-21-27-59-152(131)180(183,184)185)179(151(166)106-194)206-159-64-32-26-54-137(159)150-101-140(109(2)90-168(150)206)125-97-143(177(199-107-125)114-45-17-7-18-46-114)121-72-83-165-149(96-121)147-94-119(129-58-36-88-198-176(129)113-43-15-6-16-44-113)70-81-164(147)205(165)172-102-141(132-50-22-28-60-153(132)181(186,187)188)123(104-192)99-170(172)204-162-80-69-118(128-57-35-87-197-175(128)112-41-13-5-14-42-112)93-146(162)148-95-120(71-82-163(148)204)130-75-77-155(200-178(130)115-47-19-8-20-48-115)122-66-74-133(154(98-122)182(189,190)191)142-103-171(203-158-63-31-25-53-136(158)145-92-117(68-79-161(145)203)127-56-34-86-196-174(127)111-39-11-4-12-40-111)169(100-124(142)105-193)202-157-62-30-24-52-135(157)144-91-116(67-78-160(144)202)126-55-33-85-195-173(126)110-37-9-3-10-38-110/h3-103,107H,1-2H3.
What are the key properties of 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile?
2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2675.95 g/mol, XLogP of 48.27, 23 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-[9-[4-cyano-2-[3-[6-[4-[2-cyano-4,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]phenyl]-3-(trifluoromethyl)phenyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[2-(trifluoromethyl)phenyl]phenyl]-6-(2-phenyl-3-pyridinyl)carbazol-3-yl]-6-phenyl-3-pyridinyl]-2-methylcarbazol-9-yl]-6-(2-methylcarbazol-9-yl)-3-[2-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137386717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).