2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile

C43H32F2N2 — CID 146209393

IUPAC2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)c2ccc(-c3cc(F)c(C#N)c(F)c3)cc21
InChIInChI=1S/C43H32F2N2/c1-42(2)35-18-15-28(29-23-38(44)33(25-46)39(45)24-29)22-37(35)43(3,4)34-17-14-27(21-36(34)42)26-16-19-41-32(20-26)31-12-8-9-13-40(31)47(41)30-10-6-5-7-11-30/h5-24H,1-4H3
InChIKeyGKEWILGPTBXOJX-UHFFFAOYSA-N
MW614.74 g/mol
LogP11.23
Rot. Bonds3

About 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile

2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile (PubChem CID 146209393) has the molecular formula C43H32F2N2 and a molecular weight of 614.74 g/mol. Its IUPAC name is 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile
PubChem CID146209393
Molecular FormulaC43H32F2N2
Molecular Weight614.74 g/mol
Exact Mass614.25
IUPAC Name2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)c2ccc(-c3cc(F)c(C#N)c(F)c3)cc21
InChIInChI=1S/C43H32F2N2/c1-42(2)35-18-15-28(29-23-38(44)33(25-46)39(45)24-29)22-37(35)43(3,4)34-17-14-27(21-36(34)42)26-16-19-41-32(20-26)31-12-8-9-13-40(31)47(41)30-10-6-5-7-11-30/h5-24H,1-4H3
InChIKeyGKEWILGPTBXOJX-UHFFFAOYSA-N
XLogP11.23
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetrakis(9-phenylcarbazol-3-yl)benzene-1,4-dicarbonitrile
CID 164744316
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
3-(9,9-dimethyl-7-phenylxanthen-2-yl)-9-phenylcarbazole
CID 70935948
2,5-bis[7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328601
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
2,6-diphenyl-4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 122414507
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
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
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

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile?
The IUPAC name of 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile (CID 146209393) is 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile?
The canonical SMILES for 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2C(C)(C)c2ccc(-c3cc(F)c(C#N)c(F)c3)cc21.
What is the InChIKey of 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile?
The InChIKey is GKEWILGPTBXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32F2N2/c1-42(2)35-18-15-28(29-23-38(44)33(25-46)39(45)24-29)22-37(35)43(3,4)34-17-14-27(21-36(34)42)26-16-19-41-32(20-26)31-12-8-9-13-40(31)47(41)30-10-6-5-7-11-30/h5-24H,1-4H3.
What are the key properties of 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile?
2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile has a molecular weight of 614.74 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[9,9,10,10-tetramethyl-6-(9-phenylcarbazol-3-yl)anthracen-2-yl]benzonitrile is sourced from PubChem (CID 146209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).