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

C166H96F12N14 — CID 137393455

IUPAC6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7ccc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cnc3-c3ccccc3)ccc21
InChIInChI=1S/C166H96F12N14/c167-163(168,169)137-55-25-56-138(164(170,171)172)151(137)127-71-77-145(189-141-73-63-107(117-49-27-79-181-153(117)99-33-9-1-10-34-99)85-131(141)132-86-108(64-74-142(132)189)118-50-28-80-182-154(118)100-35-11-2-12-36-100)135(95-179)161(127)191-143-75-65-109(119-51-29-81-183-155(119)101-37-13-3-14-38-101)87-133(143)134-88-110(66-76-144(134)191)129-89-115(97-187-159(129)105-45-21-7-22-46-105)116-90-130(160(188-98-116)106-47-23-8-24-48-106)114-62-70-124-123-67-59-111(120-52-30-82-184-156(120)102-39-15-4-16-40-102)91-147(123)190(148(124)94-114)146-78-72-128(152-139(165(173,174)175)57-26-58-140(152)166(176,177)178)162(136(146)96-180)192-149-92-112(121-53-31-83-185-157(121)103-41-17-5-18-42-103)60-68-125(149)126-69-61-113(93-150(126)192)122-54-32-84-186-158(122)104-43-19-6-20-44-104/h1-94,97-98H
InChIKeyFWEYIGOTBFCNSD-UHFFFAOYSA-N
MW2514.67 g/mol
LogP44.73
Rot. Bonds23

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

6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 137393455) has the molecular formula C166H96F12N14 and a molecular weight of 2514.67 g/mol. Its IUPAC name is 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID137393455
Molecular FormulaC166H96F12N14
Molecular Weight2514.67 g/mol
Exact Mass2512.78
IUPAC Name6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7ccc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cnc3-c3ccccc3)ccc21
InChIInChI=1S/C166H96F12N14/c167-163(168,169)137-55-25-56-138(164(170,171)172)151(137)127-71-77-145(189-141-73-63-107(117-49-27-79-181-153(117)99-33-9-1-10-34-99)85-131(141)132-86-108(64-74-142(132)189)118-50-28-80-182-154(118)100-35-11-2-12-36-100)135(95-179)161(127)191-143-75-65-109(119-51-29-81-183-155(119)101-37-13-3-14-38-101)87-133(143)134-88-110(66-76-144(134)191)129-89-115(97-187-159(129)105-45-21-7-22-46-105)116-90-130(160(188-98-116)106-47-23-8-24-48-106)114-62-70-124-123-67-59-111(120-52-30-82-184-156(120)102-39-15-4-16-40-102)91-147(123)190(148(124)94-114)146-78-72-128(152-139(165(173,174)175)57-26-58-140(152)166(176,177)178)162(136(146)96-180)192-149-92-112(121-53-31-83-185-157(121)103-41-17-5-18-42-103)60-68-125(149)126-69-61-113(93-150(126)192)122-54-32-84-186-158(122)104-43-19-6-20-44-104/h1-94,97-98H
InChIKeyFWEYIGOTBFCNSD-UHFFFAOYSA-N
XLogP44.73
TPSA170.42 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002514.67
LogP ≤ 544.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 137393455) is 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)c1-n1c2ccc(-c3cccnc3-c3ccccc3)cc2c2cc(-c3cc(-c4cnc(-c5ccccc5)c(-c5ccc6c7ccc(-c8cccnc8-c8ccccc8)cc7n(-c7ccc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-n8c9cc(-c%10cccnc%10-c%10ccccc%10)ccc9c9ccc(-c%10cccnc%10-c%10ccccc%10)cc98)c7C#N)c6c5)c4)cnc3-c3ccccc3)ccc21.
What is the InChIKey of 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is FWEYIGOTBFCNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H96F12N14/c167-163(168,169)137-55-25-56-138(164(170,171)172)151(137)127-71-77-145(189-141-73-63-107(117-49-27-79-181-153(117)99-33-9-1-10-34-99)85-131(141)132-86-108(64-74-142(132)189)118-50-28-80-182-154(118)100-35-11-2-12-36-100)135(95-179)161(127)191-143-75-65-109(119-51-29-81-183-155(119)101-37-13-3-14-38-101)87-133(143)134-88-110(66-76-144(134)191)129-89-115(97-187-159(129)105-45-21-7-22-46-105)116-90-130(160(188-98-116)106-47-23-8-24-48-106)114-62-70-124-123-67-59-111(120-52-30-82-184-156(120)102-39-15-4-16-40-102)91-147(123)190(148(124)94-114)146-78-72-128(152-139(165(173,174)175)57-26-58-140(152)166(176,177)178)162(136(146)96-180)192-149-92-112(121-53-31-83-185-157(121)103-41-17-5-18-42-103)60-68-125(149)126-69-61-113(93-150(126)192)122-54-32-84-186-158(122)104-43-19-6-20-44-104/h1-94,97-98H.
What are the key properties of 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 2514.67 g/mol, XLogP of 44.73, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-[5-[5-[9-[3-[2,7-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-[2,6-bis(trifluoromethyl)phenyl]-2-cyanophenyl]-7-(2-phenyl-3-pyridinyl)carbazol-2-yl]-6-phenyl-3-pyridinyl]-2-phenyl-3-pyridinyl]-6-(2-phenyl-3-pyridinyl)carbazol-9-yl]-3-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 137393455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).