2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile

C57H39N3 — CID 132850576

IUPAC2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1c(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C57H39N3/c58-40-45-50(59-52-34-17-13-30-46(52)56(41-22-5-1-6-23-41,42-24-7-2-8-25-42)47-31-14-18-35-53(47)59)38-21-39-51(45)60-54-36-19-15-32-48(54)57(43-26-9-3-10-27-43,44-28-11-4-12-29-44)49-33-16-20-37-55(49)60/h1-39H
InChIKeyXVQTVQBURHTDKP-UHFFFAOYSA-N
MW765.96 g/mol
LogP13.89
Rot. Bonds6

About 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile

2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile (PubChem CID 132850576) has the molecular formula C57H39N3 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile.

Molecular Properties

Compound Name2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile
PubChem CID132850576
Molecular FormulaC57H39N3
Molecular Weight765.96 g/mol
Exact Mass765.31
IUPAC Name2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile
SMILESN#Cc1c(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C57H39N3/c58-40-45-50(59-52-34-17-13-30-46(52)56(41-22-5-1-6-23-41,42-24-7-2-8-25-42)47-31-14-18-35-53(47)59)38-21-39-51(45)60-54-36-19-15-32-48(54)57(43-26-9-3-10-27-43,44-28-11-4-12-29-44)49-33-16-20-37-55(49)60/h1-39H
InChIKeyXVQTVQBURHTDKP-UHFFFAOYSA-N
XLogP13.89
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(9,9-diphenylacridin-10-yl)benzonitrile
CID 59470082
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile
CID 130415578
9,9-diphenyl-10-propan-2-ylacridine
CID 134577995
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
4-[3-[3-[4-[3-[10-[5-(4-cyanophenyl)-2,3-bis(9,9-diphenylacridin-10-yl)phenyl]-9-phenylacridin-9-yl]phenyl]phenyl]-6-phenylcarbazol-9-yl]-5-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 138708453
9-(3-bromophenyl)-10-(4,6-diphenylpyrimidin-2-yl)-9-phenylacridine
CID 118232016
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2,7-bis(9,9-diphenylacridin-10-yl)-9,9-diphenylthioxanthene 10,10-dioxide
CID 142740719
11,11,16,21,21-pentakis-phenyl-4,16,28-triaza-1λ5-phosphadecacyclo[18.14.2.02,15.03,12.04,33.05,10.017,35.022,27.028,36.029,34]hexatriaconta-2(15),3(12),5,7,9,13,17(35),18,20(36),22,24,26,29,31,33-pentadecaene 1-oxide
CID 134317366
2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
CID 168750131
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile?
The IUPAC name of 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile (CID 132850576) is 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile.
What is the SMILES notation for 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile?
The canonical SMILES for 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile is N#Cc1c(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cccc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile?
The InChIKey is XVQTVQBURHTDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3/c58-40-45-50(59-52-34-17-13-30-46(52)56(41-22-5-1-6-23-41,42-24-7-2-8-25-42)47-31-14-18-35-53(47)59)38-21-39-51(45)60-54-36-19-15-32-48(54)57(43-26-9-3-10-27-43,44-28-11-4-12-29-44)49-33-16-20-37-55(49)60/h1-39H.
What are the key properties of 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile?
2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile has a molecular weight of 765.96 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(9,9-diphenylacridin-10-yl)benzonitrile is sourced from PubChem (CID 132850576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).