4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile

C85H49Cl2N7 — CID 134414868

IUPAC4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6cc(Cl)cc(Cl)c6)ccc54)ccc32)cc1
InChIInChI=1S/C85H49Cl2N7/c86-54-43-55(87)45-61(44-54)94-84-39-33-58(91-76-21-9-3-15-64(76)65-16-4-10-22-77(65)91)47-72(84)73-49-60(34-40-85(73)94)93-79-24-12-6-18-67(79)69-42-53(28-36-81(69)93)52-27-35-80-68(41-52)66-17-5-11-23-78(66)92(80)59-32-38-83-71(48-59)70-46-57(31-37-82(70)89(83)56-29-25-51(50-88)26-30-56)90-74-19-7-1-13-62(74)63-14-2-8-20-75(63)90/h1-49H
InChIKeyKJPPPOFPPFWDRL-UHFFFAOYSA-N
MW1239.28 g/mol
LogP23.11
Rot. Bonds7

About 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile

4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile (PubChem CID 134414868) has the molecular formula C85H49Cl2N7 and a molecular weight of 1239.28 g/mol. Its IUPAC name is 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
PubChem CID134414868
Molecular FormulaC85H49Cl2N7
Molecular Weight1239.28 g/mol
Exact Mass1237.34
IUPAC Name4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6cc(Cl)cc(Cl)c6)ccc54)ccc32)cc1
InChIInChI=1S/C85H49Cl2N7/c86-54-43-55(87)45-61(44-54)94-84-39-33-58(91-76-21-9-3-15-64(76)65-16-4-10-22-77(65)91)47-72(84)73-49-60(34-40-85(73)94)93-79-24-12-6-18-67(79)69-42-53(28-36-81(69)93)52-27-35-80-68(41-52)66-17-5-11-23-78(66)92(80)59-32-38-83-71(48-59)70-46-57(31-37-82(70)89(83)56-29-25-51(50-88)26-30-56)90-74-19-7-1-13-62(74)63-14-2-8-20-75(63)90/h1-49H
InChIKeyKJPPPOFPPFWDRL-UHFFFAOYSA-N
XLogP23.11
TPSA53.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.28
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile with MolForge

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Related Compounds

4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
4-[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 59399298
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
4-[3-(8-carbazol-9-yldibenzothiophen-2-yl)carbazol-9-yl]benzonitrile
CID 122576030
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 155138269
4-[8-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-2-yl]benzonitrile
CID 122576052
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822
4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603

Frequently Asked Questions

What is the IUPAC name of 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile (CID 134414868) is 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile is N#Cc1ccc(-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6cc(-n8c9ccccc9c9ccccc98)ccc6n7-c6cc(Cl)cc(Cl)c6)ccc54)ccc32)cc1.
What is the InChIKey of 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile?
The InChIKey is KJPPPOFPPFWDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H49Cl2N7/c86-54-43-55(87)45-61(44-54)94-84-39-33-58(91-76-21-9-3-15-64(76)65-16-4-10-22-77(65)91)47-72(84)73-49-60(34-40-85(73)94)93-79-24-12-6-18-67(79)69-42-53(28-36-81(69)93)52-27-35-80-68(41-52)66-17-5-11-23-78(66)92(80)59-32-38-83-71(48-59)70-46-57(31-37-82(70)89(83)56-29-25-51(50-88)26-30-56)90-74-19-7-1-13-62(74)63-14-2-8-20-75(63)90/h1-49H.
What are the key properties of 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile?
4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile has a molecular weight of 1239.28 g/mol, XLogP of 23.11, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-carbazol-9-yl-6-[3-[9-[6-carbazol-9-yl-9-(3,5-dichlorophenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134414868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).