4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile

C86H52N6 — CID 135264738

IUPAC4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccc(C#N)cc%11)c%10)c9c8)ccc76)c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C86H52N6/c87-53-55-24-28-57(29-25-55)58-32-39-68(40-33-58)90-83-44-36-62(48-78(83)75-42-35-66(52-86(75)90)63-37-43-82-76(49-63)72-19-5-8-22-80(72)89(82)67-14-2-1-3-15-67)61-13-11-16-69(47-61)91-81-23-9-6-20-73(81)77-50-64(38-45-84(77)91)65-34-41-74-71-18-4-7-21-79(71)92(85(74)51-65)70-17-10-12-60(46-70)59-30-26-56(54-88)27-31-59/h1-52H
InChIKeyCSAYNFFROSVLLH-UHFFFAOYSA-N
MW1169.40 g/mol
LogP22.15
Rot. Bonds9

About 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile

4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile (PubChem CID 135264738) has the molecular formula C86H52N6 and a molecular weight of 1169.40 g/mol. Its IUPAC name is 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
PubChem CID135264738
Molecular FormulaC86H52N6
Molecular Weight1169.40 g/mol
Exact Mass1168.43
IUPAC Name4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccc(C#N)cc%11)c%10)c9c8)ccc76)c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1
InChIInChI=1S/C86H52N6/c87-53-55-24-28-57(29-25-55)58-32-39-68(40-33-58)90-83-44-36-62(48-78(83)75-42-35-66(52-86(75)90)63-37-43-82-76(49-63)72-19-5-8-22-80(72)89(82)67-14-2-1-3-15-67)61-13-11-16-69(47-61)91-81-23-9-6-20-73(81)77-50-64(38-45-84(77)91)65-34-41-74-71-18-4-7-21-79(71)92(85(74)51-65)70-17-10-12-60(46-70)59-30-26-56(54-88)27-31-59/h1-52H
InChIKeyCSAYNFFROSVLLH-UHFFFAOYSA-N
XLogP22.15
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.40
LogP ≤ 522.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile (CID 135264738) is 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-n3c4ccc(-c5cccc(-n6c7ccccc7c7cc(-c8ccc9c%10ccccc%10n(-c%10cccc(-c%11ccc(C#N)cc%11)c%10)c9c8)ccc76)c5)cc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)cc2)cc1.
What is the InChIKey of 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is CSAYNFFROSVLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H52N6/c87-53-55-24-28-57(29-25-55)58-32-39-68(40-33-58)90-83-44-36-62(48-78(83)75-42-35-66(52-86(75)90)63-37-43-82-76(49-63)72-19-5-8-22-80(72)89(82)67-14-2-1-3-15-67)61-13-11-16-69(47-61)91-81-23-9-6-20-73(81)77-50-64(38-45-84(77)91)65-34-41-74-71-18-4-7-21-79(71)92(85(74)51-65)70-17-10-12-60(46-70)59-30-26-56(54-88)27-31-59/h1-52H.
What are the key properties of 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile?
4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 1169.40 g/mol, XLogP of 22.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[3-[3-[9-[3-(4-cyanophenyl)phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 135264738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).