2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile

C39H24N4O — CID 122418295

IUPAC2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESCOc1ccc2c(c1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc1n2-c1cc(C#N)ccc1C#N
InChIInChI=1S/C39H24N4O/c1-44-29-17-19-36-33(22-29)39-30(11-7-13-37(39)43(36)38-20-25(23-40)14-15-27(38)24-41)26-16-18-35-32(21-26)31-10-5-6-12-34(31)42(35)28-8-3-2-4-9-28/h2-22H,1H3
InChIKeyGPZPKZUOHWIOLF-UHFFFAOYSA-N
MW564.65 g/mol
LogP9.30
Rot. Bonds4

About 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile

2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (PubChem CID 122418295) has the molecular formula C39H24N4O and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
PubChem CID122418295
Molecular FormulaC39H24N4O
Molecular Weight564.65 g/mol
Exact Mass564.20
IUPAC Name2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESCOc1ccc2c(c1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc1n2-c1cc(C#N)ccc1C#N
InChIInChI=1S/C39H24N4O/c1-44-29-17-19-36-33(22-29)39-30(11-7-13-37(39)43(36)38-20-25(23-40)14-15-27(38)24-41)26-16-18-35-32(21-26)31-10-5-6-12-34(31)42(35)28-8-3-2-4-9-28/h2-22H,1H3
InChIKeyGPZPKZUOHWIOLF-UHFFFAOYSA-N
XLogP9.30
TPSA66.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
4-isocyano-2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 158570280
4-[3-[9-(4-cyanophenyl)carbazol-4-yl]carbazol-9-yl]benzonitrile
CID 122384230
2-(9-phenylcarbazol-3-yl)-4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 122414489
2-[3-methoxy-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418165
5-carbazol-9-yl-9-[4-(3-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958782
3-[6-[9-(2,5-diphenylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazol-4-yl]benzonitrile
CID 139319666
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
2-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-isocyano-5-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile;5-isocyano-2-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile;3-[3-methoxy-5-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 157086420

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (CID 122418295) is 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is COc1ccc2c(c1)c1c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cccc1n2-c1cc(C#N)ccc1C#N.
What is the InChIKey of 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The InChIKey is GPZPKZUOHWIOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c1-44-29-17-19-36-33(22-29)39-30(11-7-13-37(39)43(36)38-20-25(23-40)14-15-27(38)24-41)26-16-18-35-32(21-26)31-10-5-6-12-34(31)42(35)28-8-3-2-4-9-28/h2-22H,1H3.
What are the key properties of 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile has a molecular weight of 564.65 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 122418295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).