4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile

C51H32N2O — CID 146339503

IUPAC4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C51H32N2O/c1-51(37-21-15-32(31-52)16-22-37)45-24-18-33(35-20-26-48-44(29-35)39-11-5-7-13-47(39)53(48)38-9-3-2-4-10-38)27-42(45)43-28-34(19-25-46(43)51)36-17-23-41-40-12-6-8-14-49(40)54-50(41)30-36/h2-30H,1H3
InChIKeyZRGUPJPCDNEIFR-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.22
Rot. Bonds4

About 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile

4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile (PubChem CID 146339503) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile
PubChem CID146339503
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile
SMILESCC1(c2ccc(C#N)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C51H32N2O/c1-51(37-21-15-32(31-52)16-22-37)45-24-18-33(35-20-26-48-44(29-35)39-11-5-7-13-47(39)53(48)38-9-3-2-4-10-38)27-42(45)43-28-34(19-25-46(43)51)36-17-23-41-40-12-6-8-14-49(40)54-50(41)30-36/h2-30H,1H3
InChIKeyZRGUPJPCDNEIFR-UHFFFAOYSA-N
XLogP13.22
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[N-dibenzofuran-3-yl-4-(9-phenylcarbazol-3-yl)anilino]phenyl]benzonitrile
CID 118314835
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
4-[10-[7-(4-cyanophenyl)-[1]benzofuro[2,3-b]carbazol-10-yl]-[1]benzofuro[2,3-b]carbazol-7-yl]benzonitrile
CID 134223410
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
9-(10-dibenzofuran-3-yl-5,7-dihydrobenzo[d][2]benzoxepin-2-yl)carbazole-3-carbonitrile
CID 121443096
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
9-(10-dibenzofuran-3-yl-6,6-dimethylbenzo[d][1,3]benzodioxepin-3-yl)carbazole-3-carbonitrile
CID 121443232
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
9-(10-dibenzofuran-2-yl-6-phenyl-5,7-dihydrobenzo[d][2]benzazepin-2-yl)carbazole-3-carbonitrile
CID 121443091
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408

Frequently Asked Questions

What is the IUPAC name of 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile?
The IUPAC name of 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile (CID 146339503) is 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile?
The canonical SMILES for 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile is CC1(c2ccc(C#N)cc2)c2ccc(-c3ccc4c(c3)oc3ccccc34)cc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21.
What is the InChIKey of 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile?
The InChIKey is ZRGUPJPCDNEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-51(37-21-15-32(31-52)16-22-37)45-24-18-33(35-20-26-48-44(29-35)39-11-5-7-13-47(39)53(48)38-9-3-2-4-10-38)27-42(45)43-28-34(19-25-46(43)51)36-17-23-41-40-12-6-8-14-49(40)54-50(41)30-36/h2-30H,1H3.
What are the key properties of 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile?
4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile has a molecular weight of 688.83 g/mol, XLogP of 13.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-dibenzofuran-3-yl-9-methyl-6-(9-phenylcarbazol-3-yl)fluoren-9-yl]benzonitrile is sourced from PubChem (CID 146339503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).