7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile

C44H29N3O — CID 163854997

IUPAC7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3coc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C44H29N3O/c1-44(2)36-23-27(25-45)19-21-29(36)30-22-20-28(24-37(30)44)35-26-48-43(47-40-17-9-5-13-33(40)34-14-6-10-18-41(34)47)42(35)46-38-15-7-3-11-31(38)32-12-4-8-16-39(32)46/h3-24,26H,1-2H3
InChIKeyOXNWIIMMNMRXMH-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.32
Rot. Bonds3

About 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile

7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile (PubChem CID 163854997) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile.

Molecular Properties

Compound Name7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile
PubChem CID163854997
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile
SMILESCC1(C)c2cc(C#N)ccc2-c2ccc(-c3coc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C44H29N3O/c1-44(2)36-23-27(25-45)19-21-29(36)30-22-20-28(24-37(30)44)35-26-48-43(47-40-17-9-5-13-33(40)34-14-6-10-18-41(34)47)42(35)46-38-15-7-3-11-31(38)32-12-4-8-16-39(32)46/h3-24,26H,1-2H3
InChIKeyOXNWIIMMNMRXMH-UHFFFAOYSA-N
XLogP11.32
TPSA46.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-dimethyl-7-[10-(11-oxo-11-phenylphosphindolo[3,2-b]carbazol-5-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 121310273
7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 144595910
3,6-bis(4-cyanophenyl)-4,5-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 167165436
7-[4-[7-(4-cyanophenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 170276569
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
2,5-bis(4-cyanophenyl)-4,6-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 164819642
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
3-[2,3-di(carbazol-9-yl)-4-(3-cyanophenyl)phenyl]benzonitrile
CID 135136163
9-[2-cyano-6-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126582557
4-[9-[4-cyano-2-[4-cyano-2,3-bis[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146274248
3-[4-[9,9-dimethyl-7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-phenylcarbazole
CID 59236172

Frequently Asked Questions

What is the IUPAC name of 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile?
The IUPAC name of 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile (CID 163854997) is 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile.
What is the SMILES notation for 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile?
The canonical SMILES for 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile is CC1(C)c2cc(C#N)ccc2-c2ccc(-c3coc(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile?
The InChIKey is OXNWIIMMNMRXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-44(2)36-23-27(25-45)19-21-29(36)30-22-20-28(24-37(30)44)35-26-48-43(47-40-17-9-5-13-33(40)34-14-6-10-18-41(34)47)42(35)46-38-15-7-3-11-31(38)32-12-4-8-16-39(32)46/h3-24,26H,1-2H3.
What are the key properties of 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile?
7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile has a molecular weight of 615.74 g/mol, XLogP of 11.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,5-di(carbazol-9-yl)furan-3-yl]-9,9-dimethylfluorene-2-carbonitrile is sourced from PubChem (CID 163854997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).