6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile

C78H47N7 — CID 155138624

IUPAC6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C78H47N7/c79-47-49-38-41-64(80-48-49)63-46-75(82-66-31-13-4-22-53(66)54-23-5-14-32-67(54)82)77(78(85-70-35-17-8-26-57(70)58-27-9-18-36-71(58)85)76(63)83-68-33-15-6-24-55(68)56-25-7-16-34-69(56)83)84-72-37-19-11-29-60(72)62-45-51(40-43-74(62)84)50-39-42-73-61(44-50)59-28-10-12-30-65(59)81(73)52-20-2-1-3-21-52/h1-46,48H
InChIKeyZBFUQDDGKDDIHC-UHFFFAOYSA-N
MW1082.28 g/mol
LogP19.77
Rot. Bonds7

About 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile

6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile (PubChem CID 155138624) has the molecular formula C78H47N7 and a molecular weight of 1082.28 g/mol. Its IUPAC name is 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile
PubChem CID155138624
Molecular FormulaC78H47N7
Molecular Weight1082.28 g/mol
Exact Mass1081.39
IUPAC Name6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1
InChIInChI=1S/C78H47N7/c79-47-49-38-41-64(80-48-49)63-46-75(82-66-31-13-4-22-53(66)54-23-5-14-32-67(54)82)77(78(85-70-35-17-8-26-57(70)58-27-9-18-36-71(58)85)76(63)83-68-33-15-6-24-55(68)56-25-7-16-34-69(56)83)84-72-37-19-11-29-60(72)62-45-51(40-43-74(62)84)50-39-42-73-61(44-50)59-28-10-12-30-65(59)81(73)52-20-2-1-3-21-52/h1-46,48H
InChIKeyZBFUQDDGKDDIHC-UHFFFAOYSA-N
XLogP19.77
TPSA61.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.28
LogP ≤ 519.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 155138603
9-[3-(5-cyano-2-pyridinyl)phenyl]carbazole-3-carbonitrile
CID 146543206
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-[3,4,5-tri(carbazol-9-yl)-2,6-bis(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 135136225
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
4-[3,4,5-tri(carbazol-9-yl)phenyl]benzonitrile
CID 129312949
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
6-[2-(2-carbazol-9-ylphenyl)phenyl]pyridine-3-carbonitrile
CID 146542957
4-[2-chloro-6-[4-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]benzonitrile
CID 144600879
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
9-phenyl-3-[5-[6-(9-phenylcarbazol-3-yl)-3-pyridinyl]-2-pyridinyl]carbazole
CID 56943928
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228

Frequently Asked Questions

What is the IUPAC name of 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile (CID 155138624) is 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile is N#Cc1ccc(-c2cc(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)nc1.
What is the InChIKey of 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile?
The InChIKey is ZBFUQDDGKDDIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H47N7/c79-47-49-38-41-64(80-48-49)63-46-75(82-66-31-13-4-22-53(66)54-23-5-14-32-67(54)82)77(78(85-70-35-17-8-26-57(70)58-27-9-18-36-71(58)85)76(63)83-68-33-15-6-24-55(68)56-25-7-16-34-69(56)83)84-72-37-19-11-29-60(72)62-45-51(40-43-74(62)84)50-39-42-73-61(44-50)59-28-10-12-30-65(59)81(73)52-20-2-1-3-21-52/h1-46,48H.
What are the key properties of 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile?
6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile has a molecular weight of 1082.28 g/mol, XLogP of 19.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3,5-tri(carbazol-9-yl)-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155138624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).