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

C166H96F6N16 — CID 155217915

IUPAC3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C#N)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)nc4-c4ccccc4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C166H96F6N16/c167-165(168,169)123-81-101(97-173)79-121(87-123)155-150(185-142-67-57-113(125-47-25-72-177-157(125)105-31-9-1-10-32-105)89-137(142)138-90-114(58-68-143(138)185)126-48-26-73-178-158(126)106-33-11-2-12-34-106)83-103(99-175)84-151(155)186-144-69-59-115(127-49-27-74-179-159(127)107-35-13-3-14-36-107)91-139(144)140-92-116(60-70-145(140)186)131-65-66-141(184-163(131)111-43-21-7-22-44-111)136-71-78-183-164(112-45-23-8-24-46-112)154(136)120-56-64-135-134-63-55-119(130-52-30-77-182-162(130)110-41-19-6-20-42-110)95-148(134)188(149(135)96-120)153-86-104(100-176)85-152(156(153)122-80-102(98-174)82-124(88-122)166(170,171)172)187-146-93-117(128-50-28-75-180-160(128)108-37-15-4-16-38-108)53-61-132(146)133-62-54-118(94-147(133)187)129-51-29-76-181-161(129)109-39-17-5-18-40-109/h1-96H
InChIKeyCOMBNEGFCVBHRM-UHFFFAOYSA-N
MW2428.69 g/mol
LogP42.43
Rot. Bonds23

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

3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 155217915) has the molecular formula C166H96F6N16 and a molecular weight of 2428.69 g/mol. Its IUPAC name is 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
PubChem CID155217915
Molecular FormulaC166H96F6N16
Molecular Weight2428.69 g/mol
Exact Mass2426.79
IUPAC Name3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C#N)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)nc4-c4ccccc4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C166H96F6N16/c167-165(168,169)123-81-101(97-173)79-121(87-123)155-150(185-142-67-57-113(125-47-25-72-177-157(125)105-31-9-1-10-32-105)89-137(142)138-90-114(58-68-143(138)185)126-48-26-73-178-158(126)106-33-11-2-12-34-106)83-103(99-175)84-151(155)186-144-69-59-115(127-49-27-74-179-159(127)107-35-13-3-14-36-107)91-139(144)140-92-116(60-70-145(140)186)131-65-66-141(184-163(131)111-43-21-7-22-44-111)136-71-78-183-164(112-45-23-8-24-46-112)154(136)120-56-64-135-134-63-55-119(130-52-30-77-182-162(130)110-41-19-6-20-42-110)95-148(134)188(149(135)96-120)153-86-104(100-176)85-152(156(153)122-80-102(98-174)82-124(88-122)166(170,171)172)187-146-93-117(128-50-28-75-180-160(128)108-37-15-4-16-38-108)53-61-132(146)133-62-54-118(94-147(133)187)129-51-29-76-181-161(129)109-39-17-5-18-40-109/h1-96H
InChIKeyCOMBNEGFCVBHRM-UHFFFAOYSA-N
XLogP42.43
TPSA218.00 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds23
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002428.69
LogP ≤ 542.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile (CID 155217915) is 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C#N)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cc(C#N)cc(C(F)(F)F)c7)c6c5)nc4-c4ccccc4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is COMBNEGFCVBHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H96F6N16/c167-165(168,169)123-81-101(97-173)79-121(87-123)155-150(185-142-67-57-113(125-47-25-72-177-157(125)105-31-9-1-10-32-105)89-137(142)138-90-114(58-68-143(138)185)126-48-26-73-178-158(126)106-33-11-2-12-34-106)83-103(99-175)84-151(155)186-144-69-59-115(127-49-27-74-179-159(127)107-35-13-3-14-36-107)91-139(144)140-92-116(60-70-145(140)186)131-65-66-141(184-163(131)111-43-21-7-22-44-111)136-71-78-183-164(112-45-23-8-24-46-112)154(136)120-56-64-135-134-63-55-119(130-52-30-77-182-162(130)110-41-19-6-20-42-110)95-148(134)188(149(135)96-120)153-86-104(100-176)85-152(156(153)122-80-102(98-174)82-124(88-122)166(170,171)172)187-146-93-117(128-50-28-75-180-160(128)108-37-15-4-16-38-108)53-61-132(146)133-62-54-118(94-147(133)187)129-51-29-76-181-161(129)109-39-17-5-18-40-109/h1-96H.
What are the key properties of 3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile?
3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2428.69 g/mol, XLogP of 42.43, 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(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-cyano-2-[3-cyano-5-(trifluoromethyl)phenyl]phenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-2-phenyl-4-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[3-cyano-5-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 155217915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).