3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

C62H39N3 — CID 145055650

IUPAC3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5C(c5ccccc5-c5ccccc5)c5ccccc5-6)ccc43)c2)c1
InChIInChI=1S/C62H39N3/c63-39-40-15-12-18-42(35-40)43-19-13-20-46(36-43)64-56-28-10-8-23-49(56)54-37-44(31-33-58(54)64)45-32-34-59-55(38-45)50-24-9-11-29-57(50)65(59)60-30-14-27-53-48-22-5-7-26-52(48)61(62(53)60)51-25-6-4-21-47(51)41-16-2-1-3-17-41/h1-38,61H
InChIKeyPIRQIQHJJYZZDF-UHFFFAOYSA-N
MW826.02 g/mol
LogP15.91
Rot. Bonds6

About 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 145055650) has the molecular formula C62H39N3 and a molecular weight of 826.02 g/mol. Its IUPAC name is 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID145055650
Molecular FormulaC62H39N3
Molecular Weight826.02 g/mol
Exact Mass825.31
IUPAC Name3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5C(c5ccccc5-c5ccccc5)c5ccccc5-6)ccc43)c2)c1
InChIInChI=1S/C62H39N3/c63-39-40-15-12-18-42(35-40)43-19-13-20-46(36-43)64-56-28-10-8-23-49(56)54-37-44(31-33-58(54)64)45-32-34-59-55(38-45)50-24-9-11-29-57(50)65(59)60-30-14-27-53-48-22-5-7-26-52(48)61(62(53)60)51-25-6-4-21-47(51)41-16-2-1-3-17-41/h1-38,61H
InChIKeyPIRQIQHJJYZZDF-UHFFFAOYSA-N
XLogP15.91
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666
9-(2-phenylphenyl)-3-[3-[9-(2-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]carbazole
CID 71232640
3-[9-[2-(2,3-diphenylphenyl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]carbazol-3-yl]benzonitrile
CID 134234913
3-(9-phenylcarbazol-3-yl)-9-[2-[4-(4-phenylphenyl)phenyl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161093250
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 160944719
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590420
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160721825
9-(2-phenylphenyl)-3-[9-(2-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(2-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159485345
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 158463997
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (CID 145055650) is 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is N#Cc1cccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5C(c5ccccc5-c5ccccc5)c5ccccc5-6)ccc43)c2)c1.
What is the InChIKey of 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is PIRQIQHJJYZZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3/c63-39-40-15-12-18-42(35-40)43-19-13-20-46(36-43)64-56-28-10-8-23-49(56)54-37-44(31-33-58(54)64)45-32-34-59-55(38-45)50-24-9-11-29-57(50)65(59)60-30-14-27-53-48-22-5-7-26-52(48)61(62(53)60)51-25-6-4-21-47(51)41-16-2-1-3-17-41/h1-38,61H.
What are the key properties of 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 826.02 g/mol, XLogP of 15.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[9-[9-(2-phenylphenyl)-9H-fluoren-1-yl]carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 145055650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).