18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile

C37H20N2O2 — CID 126582417

IUPAC18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile
SMILESN#Cc1ccc2oc3cc4oc5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1
InChIInChI=1S/C37H20N2O2/c38-21-22-13-15-34-27(17-22)29-19-30-28-18-23(14-16-35(28)41-37(30)20-36(29)40-34)24-7-1-4-10-31(24)39-32-11-5-2-8-25(32)26-9-3-6-12-33(26)39/h1-20H
InChIKeyMIBNCJGIPAUYGH-UHFFFAOYSA-N
MW524.58 g/mol
LogP10.12
Rot. Bonds2

About 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile

18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile (PubChem CID 126582417) has the molecular formula C37H20N2O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile.

Molecular Properties

Compound Name18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile
PubChem CID126582417
Molecular FormulaC37H20N2O2
Molecular Weight524.58 g/mol
Exact Mass524.15
IUPAC Name18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile
SMILESN#Cc1ccc2oc3cc4oc5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1
InChIInChI=1S/C37H20N2O2/c38-21-22-13-15-34-27(17-22)29-19-30-28-18-23(14-16-35(28)41-37(30)20-36(29)40-34)24-7-1-4-10-31(24)39-32-11-5-2-8-25(32)26-9-3-6-12-33(26)39/h1-20H
InChIKeyMIBNCJGIPAUYGH-UHFFFAOYSA-N
XLogP10.12
TPSA55.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.58
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile with MolForge

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Related Compounds

8-[2-(3-propylcarbazol-9-yl)phenyl]dibenzofuran-2-carbonitrile
CID 139566029
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
3-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-5-cyanophenyl]-4-carbazol-9-ylbenzonitrile
CID 129300202
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)carbazole-2-carbonitrile
CID 149138143
2-carbazol-9-yl-3-[18-(3-cyanophenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]benzonitrile
CID 126582478
6-[4-(1-cyanocarbazol-9-yl)-3-dibenzofuran-2-ylphenyl]-9-(2-dibenzofuran-2-ylphenyl)carbazole-2-carbonitrile
CID 167006192
4-([1]benzofuro[3,2-a]carbazol-12-yl)-3-dibenzofuran-2-ylbenzonitrile
CID 126577754
9-[2-[2-(2-isocyano-[1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140823103
2-([1]benzofuro[3,2-b]carbazol-11-yl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 129291049
9-[8-[8-(2-cyanocarbazol-9-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole-2-carbonitrile
CID 118396690
4-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[2-([1]benzofuro[3,2-b]carbazol-11-yl)-5-cyanophenyl]benzonitrile
CID 129300231
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755

Frequently Asked Questions

What is the IUPAC name of 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile?
The IUPAC name of 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile (CID 126582417) is 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile.
What is the SMILES notation for 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile?
The canonical SMILES for 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile is N#Cc1ccc2oc3cc4oc5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5c4cc3c2c1.
What is the InChIKey of 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile?
The InChIKey is MIBNCJGIPAUYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H20N2O2/c38-21-22-13-15-34-27(17-22)29-19-30-28-18-23(14-16-35(28)41-37(30)20-36(29)40-34)24-7-1-4-10-31(24)39-32-11-5-2-8-25(32)26-9-3-6-12-33(26)39/h1-20H.
What are the key properties of 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile?
18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile has a molecular weight of 524.58 g/mol, XLogP of 10.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(2-carbazol-9-ylphenyl)-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-nonaene-6-carbonitrile is sourced from PubChem (CID 126582417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).