15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C38H21N3O2 — CID 129297301

IUPAC15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc-2c13
InChIInChI=1S/C38H21N3O2/c1-4-12-30-24(8-1)25-18-16-23(22-17-19-34-28(20-22)26-9-2-5-13-32(26)42-34)21-31(25)41(30)38-39-29-11-7-15-35-36(29)37(40-38)27-10-3-6-14-33(27)43-35/h1-21H
InChIKeyUIQXNIOBVDGGRE-UHFFFAOYSA-N
MW551.61 g/mol
LogP10.07
Rot. Bonds2

About 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297301) has the molecular formula C38H21N3O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID129297301
Molecular FormulaC38H21N3O2
Molecular Weight551.61 g/mol
Exact Mass551.16
IUPAC Name15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc-2c13
InChIInChI=1S/C38H21N3O2/c1-4-12-30-24(8-1)25-18-16-23(22-17-19-34-28(20-22)26-9-2-5-13-32(26)42-34)21-31(25)41(30)38-39-29-11-7-15-35-36(29)37(40-38)27-10-3-6-14-33(27)43-35/h1-21H
InChIKeyUIQXNIOBVDGGRE-UHFFFAOYSA-N
XLogP10.07
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Related Compounds

11-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-[1]benzofuro[3,2-b]carbazole
CID 129296855
15-[2-(9-naphthalen-1-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297238
15-[2-(9-phenylcarbazol-3-yl)benzo[b]carbazol-5-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297932
15-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297566
15-[3-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297934
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
12-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)-15-phenyl-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 139539213
15-furo[3,2-b]carbazol-9-yl-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297841
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
15-(6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaen-6-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 154597919
15-[10-[9-(4-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297929
15-[10-[9-(3-phenylphenyl)carbazol-3-yl]benzo[c]carbazol-7-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297921

Frequently Asked Questions

What is the IUPAC name of 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297301) is 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5ccc(-c6ccc7oc8ccccc8c7c6)cc54)nc-2c13.
What is the InChIKey of 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is UIQXNIOBVDGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O2/c1-4-12-30-24(8-1)25-18-16-23(22-17-19-34-28(20-22)26-9-2-5-13-32(26)42-34)21-31(25)41(30)38-39-29-11-7-15-35-36(29)37(40-38)27-10-3-6-14-33(27)43-35/h1-21H.
What are the key properties of 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 551.61 g/mol, XLogP of 10.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-dibenzofuran-2-ylcarbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).