3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile

C61H38N4O — CID 137369277

IUPAC3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C61H38N4O/c62-39-47-57(40-21-3-1-4-22-40)60(64-48-30-12-7-25-42(48)43-26-8-13-31-49(43)64)59(46-29-11-16-34-52(46)63-53-35-17-19-37-55(53)66-56-38-20-18-36-54(56)63)61(58(47)41-23-5-2-6-24-41)65-50-32-14-9-27-44(50)45-28-10-15-33-51(45)65/h1-38H
InChIKeyCJQVWLBFHCWINX-UHFFFAOYSA-N
MW843.00 g/mol
LogP16.33
Rot. Bonds6

About 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile

3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile (PubChem CID 137369277) has the molecular formula C61H38N4O and a molecular weight of 843.00 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
PubChem CID137369277
Molecular FormulaC61H38N4O
Molecular Weight843.00 g/mol
Exact Mass842.30
IUPAC Name3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile
SMILESN#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccccc1
InChIInChI=1S/C61H38N4O/c62-39-47-57(40-21-3-1-4-22-40)60(64-48-30-12-7-25-42(48)43-26-8-13-31-49(43)64)59(46-29-11-16-34-52(46)63-53-35-17-19-37-55(53)66-56-38-20-18-36-54(56)63)61(58(47)41-23-5-2-6-24-41)65-50-32-14-9-27-44(50)45-28-10-15-33-51(45)65/h1-38H
InChIKeyCJQVWLBFHCWINX-UHFFFAOYSA-N
XLogP16.33
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.00
LogP ≤ 516.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
4,5-di(carbazol-9-yl)-2-isocyano-3,6-diphenylbenzonitrile
CID 170652188
2,6-bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 137368725
2,5-di(carbazol-9-yl)-3,6-bis(4-methylphenyl)benzene-1,4-dicarbonitrile
CID 147058731
4-[2,4,6-tri(carbazol-9-yl)-3-(4-cyanophenyl)-5-phenylphenyl]benzonitrile
CID 135135987
3,5-bis(3,6-diphenylcarbazol-9-yl)-2,4,6-triphenylbenzonitrile
CID 137369312
1-carbazol-9-yl-10-phenylphenoxazine
CID 175123685
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773
2,3,5-tri(carbazol-9-yl)-4-(2-carbazol-9-ylphenyl)-6-(N-ethylanilino)benzonitrile
CID 139523736

Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile?
The IUPAC name of 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile (CID 137369277) is 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile.
What is the SMILES notation for 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile?
The canonical SMILES for 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile is N#Cc1c(-c2ccccc2)c(-n2c3ccccc3c3ccccc32)c(-c2ccccc2N2c3ccccc3Oc3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-c1ccccc1.
What is the InChIKey of 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile?
The InChIKey is CJQVWLBFHCWINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4O/c62-39-47-57(40-21-3-1-4-22-40)60(64-48-30-12-7-25-42(48)43-26-8-13-31-49(43)64)59(46-29-11-16-34-52(46)63-53-35-17-19-37-55(53)66-56-38-20-18-36-54(56)63)61(58(47)41-23-5-2-6-24-41)65-50-32-14-9-27-44(50)45-28-10-15-33-51(45)65/h1-38H.
What are the key properties of 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile?
3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile has a molecular weight of 843.00 g/mol, XLogP of 16.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(carbazol-9-yl)-4-(2-phenoxazin-10-ylphenyl)-2,6-diphenylbenzonitrile is sourced from PubChem (CID 137369277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).