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

C164H98F6N14 — CID 146238257

IUPAC3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C(F)(F)F)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cccc(C#N)c7)c6c5)nc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C164H98F6N14/c165-163(166,167)121-95-148(181-140-73-63-111(123-53-27-78-173-155(123)103-35-9-1-10-36-103)87-135(140)136-88-112(64-74-141(136)181)124-54-28-79-174-156(124)104-37-11-2-12-38-104)153(118-51-25-33-101(85-118)99-171)149(96-121)182-142-75-65-113(125-55-29-80-175-157(125)105-39-13-3-14-40-105)89-137(142)138-90-114(66-76-143(138)182)129-71-72-139(180-161(129)109-47-21-7-22-48-109)134-77-84-179-162(110-49-23-8-24-50-110)152(134)120-62-70-133-132-69-61-117(128-58-32-83-178-160(128)108-45-19-6-20-46-108)93-146(132)184(147(133)94-120)151-98-122(164(168,169)170)97-150(154(151)119-52-26-34-102(86-119)100-172)183-144-91-115(126-56-30-81-176-158(126)106-41-15-4-16-42-106)59-67-130(144)131-68-60-116(92-145(131)183)127-57-31-82-177-159(127)107-43-17-5-18-44-107/h1-98H
InChIKeyBVWBXBVMXFOGMZ-UHFFFAOYSA-N
MW2378.67 g/mol
LogP42.69
Rot. Bonds23

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

3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146238257) has the molecular formula C164H98F6N14 and a molecular weight of 2378.67 g/mol. Its IUPAC name is 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile
PubChem CID146238257
Molecular FormulaC164H98F6N14
Molecular Weight2378.67 g/mol
Exact Mass2376.80
IUPAC Name3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C(F)(F)F)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cccc(C#N)c7)c6c5)nc4-c4ccccc4)ccc32)c1
InChIInChI=1S/C164H98F6N14/c165-163(166,167)121-95-148(181-140-73-63-111(123-53-27-78-173-155(123)103-35-9-1-10-36-103)87-135(140)136-88-112(64-74-141(136)181)124-54-28-79-174-156(124)104-37-11-2-12-38-104)153(118-51-25-33-101(85-118)99-171)149(96-121)182-142-75-65-113(125-55-29-80-175-157(125)105-39-13-3-14-40-105)89-137(142)138-90-114(66-76-143(138)182)129-71-72-139(180-161(129)109-47-21-7-22-48-109)134-77-84-179-162(110-49-23-8-24-50-110)152(134)120-62-70-133-132-69-61-117(128-58-32-83-178-160(128)108-45-19-6-20-46-108)93-146(132)184(147(133)94-120)151-98-122(164(168,169)170)97-150(154(151)119-52-26-34-102(86-119)100-172)183-144-91-115(126-56-30-81-176-158(126)106-41-15-4-16-42-106)59-67-130(144)131-68-60-116(92-145(131)183)127-57-31-82-177-159(127)107-43-17-5-18-44-107/h1-98H
InChIKeyBVWBXBVMXFOGMZ-UHFFFAOYSA-N
XLogP42.69
TPSA170.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.67
LogP ≤ 542.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile (CID 146238257) is 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile is N#Cc1cccc(-c2c(-n3c4ccc(-c5cccnc5-c5ccccc5)cc4c4cc(-c5cccnc5-c5ccccc5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4ccc(-c5ccnc(-c6ccccc6)c5-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7cc(C(F)(F)F)cc(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7-c7cccc(C#N)c7)c6c5)nc4-c4ccccc4)ccc32)c1.
What is the InChIKey of 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is BVWBXBVMXFOGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C164H98F6N14/c165-163(166,167)121-95-148(181-140-73-63-111(123-53-27-78-173-155(123)103-35-9-1-10-36-103)87-135(140)136-88-112(64-74-141(136)181)124-54-28-79-174-156(124)104-37-11-2-12-38-104)153(118-51-25-33-101(85-118)99-171)149(96-121)182-142-75-65-113(125-55-29-80-175-157(125)105-39-13-3-14-40-105)89-137(142)138-90-114(66-76-143(138)182)129-71-72-139(180-161(129)109-47-21-7-22-48-109)134-77-84-179-162(110-49-23-8-24-50-110)152(134)120-62-70-133-132-69-61-117(128-58-32-83-178-160(128)108-45-19-6-20-46-108)93-146(132)184(147(133)94-120)151-98-122(164(168,169)170)97-150(154(151)119-52-26-34-102(86-119)100-172)183-144-91-115(126-56-30-81-176-158(126)106-41-15-4-16-42-106)59-67-130(144)131-68-60-116(92-145(131)183)127-57-31-82-177-159(127)107-43-17-5-18-44-107/h1-98H.
What are the key properties of 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile?
3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2378.67 g/mol, XLogP of 42.69, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-6-[3-[6-[3-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-(3-cyanophenyl)-5-(trifluoromethyl)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-(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146238257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).