6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C34H20N4O — CID 145345257

IUPAC6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cncc4c3oc3ccncc34)c12
InChIInChI=1S/C34H20N4O/c1-4-12-27-21(8-1)22-9-2-5-13-28(22)37(27)30-15-7-11-24-23-10-3-6-14-29(23)38(33(24)30)31-20-36-19-26-25-18-35-17-16-32(25)39-34(26)31/h1-20H
InChIKeyDGYSMXYZRJQMPU-UHFFFAOYSA-N
MW500.56 g/mol
LogP8.57
Rot. Bonds2

About 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 145345257) has the molecular formula C34H20N4O and a molecular weight of 500.56 g/mol. Its IUPAC name is 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID145345257
Molecular FormulaC34H20N4O
Molecular Weight500.56 g/mol
Exact Mass500.16
IUPAC Name6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cncc4c3oc3ccncc34)c12
InChIInChI=1S/C34H20N4O/c1-4-12-27-21(8-1)22-9-2-5-13-28(22)37(27)30-15-7-11-24-23-10-3-6-14-29(23)38(33(24)30)31-20-36-19-26-25-18-35-17-16-32(25)39-34(26)31/h1-20H
InChIKeyDGYSMXYZRJQMPU-UHFFFAOYSA-N
XLogP8.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

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CID 59147045
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
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12-dibenzofuran-4-yl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 121369237
2-(3-carbazol-9-yldibenzofuran-4-yl)-9-isoquinolin-8-ylcarbazole
CID 118530381
8-[6-(8-dibenzofuran-2-ylpyrido[4,3-b]indol-5-yl)dibenzofuran-4-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099526
24-phenyl-9-oxa-14,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 164836955
6-[2-(2-carbazol-9-ylphenyl)phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155101896
8-carbazol-9-yl-[1]benzofuro[2,3-b]pyridine;6-carbazol-9-yl-[1]benzofuro[2,3-c]pyridine
CID 144782335
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
9-(8-chlorodibenzofuran-4-yl)carbazole
CID 139342225
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072359
8-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
CID 90090627

Frequently Asked Questions

What is the IUPAC name of 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 145345257) is 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc2c(c1)c1ccccc1n2-c1cccc2c3ccccc3n(-c3cncc4c3oc3ccncc34)c12.
What is the InChIKey of 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is DGYSMXYZRJQMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4O/c1-4-12-27-21(8-1)22-9-2-5-13-28(22)37(27)30-15-7-11-24-23-10-3-6-14-29(23)38(33(24)30)31-20-36-19-26-25-18-35-17-16-32(25)39-34(26)31/h1-20H.
What are the key properties of 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 500.56 g/mol, XLogP of 8.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-carbazol-9-ylcarbazol-9-yl)-8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 145345257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).