2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile

C49H38N4 — CID 146209415

IUPAC2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(-c3c(C#N)c(-c4ccccc4)nc(-c4ccccc4)c3C#N)cc21
InChIInChI=1S/C49H38N4/c1-48(2)42-28-26-38(53(36-21-13-7-14-22-36)37-23-15-8-16-24-37)30-44(42)49(3,4)41-27-25-35(29-43(41)48)45-39(31-50)46(33-17-9-5-10-18-33)52-47(40(45)32-51)34-19-11-6-12-20-34/h5-30H,1-4H3
InChIKeyLZUQWKIOMXGDRQ-UHFFFAOYSA-N
MW682.87 g/mol
LogP12.26
Rot. Bonds6

About 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile

2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile (PubChem CID 146209415) has the molecular formula C49H38N4 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
PubChem CID146209415
Molecular FormulaC49H38N4
Molecular Weight682.87 g/mol
Exact Mass682.31
IUPAC Name2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(-c3c(C#N)c(-c4ccccc4)nc(-c4ccccc4)c3C#N)cc21
InChIInChI=1S/C49H38N4/c1-48(2)42-28-26-38(53(36-21-13-7-14-22-36)37-23-15-8-16-24-37)30-44(42)49(3,4)41-27-25-35(29-43(41)48)45-39(31-50)46(33-17-9-5-10-18-33)52-47(40(45)32-51)34-19-11-6-12-20-34/h5-30H,1-4H3
InChIKeyLZUQWKIOMXGDRQ-UHFFFAOYSA-N
XLogP12.26
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[9,9-dimethyl-2,7-bis(N-phenylanilino)acridin-10-yl]-9,9,10,10-tetramethylanthracen-2-yl]-2,6-difluorobenzonitrile
CID 146209492
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
CID 153445557
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
12,12-dimethyl-7,17-bis(N-phenylanilino)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-3-carbonitrile
CID 70835665
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
3,6-bis[4-(N-phenylanilino)phenyl]pyrazine-2,5-dicarbonitrile
CID 140915776
7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine;4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-N-phenylaniline;N-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160636575
N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile (CID 146209415) is 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile is CC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(-c3c(C#N)c(-c4ccccc4)nc(-c4ccccc4)c3C#N)cc21.
What is the InChIKey of 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile?
The InChIKey is LZUQWKIOMXGDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N4/c1-48(2)42-28-26-38(53(36-21-13-7-14-22-36)37-23-15-8-16-24-37)30-44(42)49(3,4)41-27-25-35(29-43(41)48)45-39(31-50)46(33-17-9-5-10-18-33)52-47(40(45)32-51)34-19-11-6-12-20-34/h5-30H,1-4H3.
What are the key properties of 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile?
2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile has a molecular weight of 682.87 g/mol, XLogP of 12.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-4-[9,9,10,10-tetramethyl-6-(N-phenylanilino)anthracen-2-yl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 146209415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).