3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile

C103H56F12N10 — CID 146393893

IUPAC3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile
SMILESCC1C(C#N)=CC=CC1c1ccc2c(c1)c1ccccc1n2-c1cnc(-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10cccc(C#N)c%10)cc98)cc7-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c6c5)c4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C103H56F12N10/c1-57-68(54-119)15-10-19-77(57)67-27-32-91-85(44-67)80-18-4-6-21-89(80)122(91)96-55-120-98(49-83(96)71-38-73(100(104,105)106)47-74(39-71)101(107,108)109)124-92-30-25-63(61-13-8-11-58(33-61)51-116)42-86(92)87-43-64(26-31-93(87)124)69-35-60(53-118)36-70(37-69)66-24-29-81-78-16-2-5-20-88(78)123(94(81)46-66)97-56-121-99(50-84(97)72-40-75(102(110,111)112)48-76(41-72)103(113,114)115)125-90-22-7-3-17-79(90)82-28-23-65(45-95(82)125)62-14-9-12-59(34-62)52-117/h2-50,55-57,77H,1H3
InChIKeyAABRUSWEMWLNBD-UHFFFAOYSA-N
MW1661.63 g/mol
LogP28.30
Rot. Bonds11

About 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile

3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile (PubChem CID 146393893) has the molecular formula C103H56F12N10 and a molecular weight of 1661.63 g/mol. Its IUPAC name is 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile
PubChem CID146393893
Molecular FormulaC103H56F12N10
Molecular Weight1661.63 g/mol
Exact Mass1660.45
IUPAC Name3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile
SMILESCC1C(C#N)=CC=CC1c1ccc2c(c1)c1ccccc1n2-c1cnc(-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10cccc(C#N)c%10)cc98)cc7-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c6c5)c4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C103H56F12N10/c1-57-68(54-119)15-10-19-77(57)67-27-32-91-85(44-67)80-18-4-6-21-89(80)122(91)96-55-120-98(49-83(96)71-38-73(100(104,105)106)47-74(39-71)101(107,108)109)124-92-30-25-63(61-13-8-11-58(33-61)51-116)42-86(92)87-43-64(26-31-93(87)124)69-35-60(53-118)36-70(37-69)66-24-29-81-78-16-2-5-20-88(78)123(94(81)46-66)97-56-121-99(50-84(97)72-40-75(102(110,111)112)48-76(41-72)103(113,114)115)125-90-22-7-3-17-79(90)82-28-23-65(45-95(82)125)62-14-9-12-59(34-62)52-117/h2-50,55-57,77H,1H3
InChIKeyAABRUSWEMWLNBD-UHFFFAOYSA-N
XLogP28.30
TPSA140.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001661.63
LogP ≤ 528.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile (CID 146393893) is 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile is CC1C(C#N)=CC=CC1c1ccc2c(c1)c1ccccc1n2-c1cnc(-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cc(C#N)cc(-c5ccc6c7ccccc7n(-c7cnc(-n8c9ccccc9c9ccc(-c%10cccc(C#N)c%10)cc98)cc7-c7cc(C(F)(F)F)cc(C(F)(F)F)c7)c6c5)c4)ccc32)cc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile?
The InChIKey is AABRUSWEMWLNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H56F12N10/c1-57-68(54-119)15-10-19-77(57)67-27-32-91-85(44-67)80-18-4-6-21-89(80)122(91)96-55-120-98(49-83(96)71-38-73(100(104,105)106)47-74(39-71)101(107,108)109)124-92-30-25-63(61-13-8-11-58(33-61)51-116)42-86(92)87-43-64(26-31-93(87)124)69-35-60(53-118)36-70(37-69)66-24-29-81-78-16-2-5-20-88(78)123(94(81)46-66)97-56-121-99(50-84(97)72-40-75(102(110,111)112)48-76(41-72)103(113,114)115)125-90-22-7-3-17-79(90)82-28-23-65(45-95(82)125)62-14-9-12-59(34-62)52-117/h2-50,55-57,77H,1H3.
What are the key properties of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile?
3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile has a molecular weight of 1661.63 g/mol, XLogP of 28.30, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-5-[3-(5-cyano-6-methylcyclohexa-2,4-dien-1-yl)carbazol-9-yl]-2-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]-5-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 146393893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).