4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile

C42H32N4 — CID 164801066

IUPAC4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile
SMILESCc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(C)c1-c1c(C#N)c(-c2ccccc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C42H32N4/c1-27-23-31(46-36-21-13-11-19-34(36)42(3,4)35-20-12-14-22-37(35)46)24-28(2)38(27)39-32(25-43)40(29-15-7-5-8-16-29)45-41(33(39)26-44)30-17-9-6-10-18-30/h5-24H,1-4H3
InChIKeyOHLUUAZKBCOOEI-UHFFFAOYSA-N
MW592.75 g/mol
LogP10.55
Rot. Bonds4

About 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile

4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile (PubChem CID 164801066) has the molecular formula C42H32N4 and a molecular weight of 592.75 g/mol. Its IUPAC name is 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile
PubChem CID164801066
Molecular FormulaC42H32N4
Molecular Weight592.75 g/mol
Exact Mass592.26
IUPAC Name4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile
SMILESCc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(C)c1-c1c(C#N)c(-c2ccccc2)nc(-c2ccccc2)c1C#N
InChIInChI=1S/C42H32N4/c1-27-23-31(46-36-21-13-11-19-34(36)42(3,4)35-20-12-14-22-37(35)46)24-28(2)38(27)39-32(25-43)40(29-15-7-5-8-16-29)45-41(33(39)26-44)30-17-9-6-10-18-30/h5-24H,1-4H3
InChIKeyOHLUUAZKBCOOEI-UHFFFAOYSA-N
XLogP10.55
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
2-[3-(14,14-dimethyl-21-phenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-5-phenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163823475
10-[3-(9,9-dimethylacridin-10-yl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528452
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
2-[4-(21,21-dimethyl-14-phenyl-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-3,5-diphenylphenyl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 163587903
6-[3-(9,9-dimethylacridin-10-yl)phenyl]pyridine-2-carbonitrile
CID 146543096
2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
CID 146209415
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
CID 146653910
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
4-carbazol-9-yl-3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-2,6-diphenylbenzonitrile
CID 137368773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile (CID 164801066) is 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile is Cc1cc(N2c3ccccc3C(C)(C)c3ccccc32)cc(C)c1-c1c(C#N)c(-c2ccccc2)nc(-c2ccccc2)c1C#N.
What is the InChIKey of 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile?
The InChIKey is OHLUUAZKBCOOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4/c1-27-23-31(46-36-21-13-11-19-34(36)42(3,4)35-20-12-14-22-37(35)46)24-28(2)38(27)39-32(25-43)40(29-15-7-5-8-16-29)45-41(33(39)26-44)30-17-9-6-10-18-30/h5-24H,1-4H3.
What are the key properties of 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile?
4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile has a molecular weight of 592.75 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dimethylacridin-10-yl)-2,6-dimethylphenyl]-2,6-diphenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 164801066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).