9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole

C37H22N2O — CID 169076323

IUPAC9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H22N2O/c1-38-32-13-8-12-27(37(32)39-33-14-5-2-9-28(33)29-10-3-6-15-34(29)39)25-19-17-24(18-20-25)26-21-22-36-31(23-26)30-11-4-7-16-35(30)40-36/h2-23H
InChIKeyRYLIICCQVIWZBA-UHFFFAOYSA-N
MW510.60 g/mol
LogP10.57
Rot. Bonds3

About 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole

9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole (PubChem CID 169076323) has the molecular formula C37H22N2O and a molecular weight of 510.60 g/mol. Its IUPAC name is 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole.

Molecular Properties

Compound Name9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
PubChem CID169076323
Molecular FormulaC37H22N2O
Molecular Weight510.60 g/mol
Exact Mass510.17
IUPAC Name9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
SMILES[C-]#[N+]c1cccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H22N2O/c1-38-32-13-8-12-27(37(32)39-33-14-5-2-9-28(33)29-10-3-6-15-34(29)39)25-19-17-24(18-20-25)26-21-22-36-31(23-26)30-11-4-7-16-35(30)40-36/h2-23H
InChIKeyRYLIICCQVIWZBA-UHFFFAOYSA-N
XLogP10.57
TPSA22.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

9-[2-(3-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole
CID 169076295
14-[2-isocyano-6-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140794106
12-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 140794053
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 140794299
2-carbazol-9-yl-3-(18-isocyano-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl)benzonitrile
CID 153462784
2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-isocyano-2-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]benzonitrile
CID 140794233
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
9-[4-(4-isocyanophenyl)-6-(8-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 164821743
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole?
The IUPAC name of 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole (CID 169076323) is 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole.
What is the SMILES notation for 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole?
The canonical SMILES for 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole is [C-]#[N+]c1cccc(-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole?
The InChIKey is RYLIICCQVIWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N2O/c1-38-32-13-8-12-27(37(32)39-33-14-5-2-9-28(33)29-10-3-6-15-34(29)39)25-19-17-24(18-20-25)26-21-22-36-31(23-26)30-11-4-7-16-35(30)40-36/h2-23H.
What are the key properties of 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole?
9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole has a molecular weight of 510.60 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dibenzofuran-2-ylphenyl)-6-isocyanophenyl]carbazole is sourced from PubChem (CID 169076323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).