15-[3-(9-dibenzofuran-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

C50H28N4O2 — CID 129297243

IUPAC15-[3-(9-dibenzofuran-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
SMILESc1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)nc-2c13
InChIInChI=1S/C50H28N4O2/c1-5-15-40-32(10-1)36-26-29(20-23-42(36)53(40)31-22-25-46-38(28-31)34-12-3-7-17-44(34)55-46)30-21-24-43-37(27-30)33-11-2-6-16-41(33)54(43)50-51-39-14-9-19-47-48(39)49(52-50)35-13-4-8-18-45(35)56-47/h1-28H
InChIKeyCDCKXXJBNAKXPR-UHFFFAOYSA-N
MW716.80 g/mol
LogP13.16
Rot. Bonds3

About 15-[3-(9-dibenzofuran-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

15-[3-(9-dibenzofuran-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 (PubChem CID 129297243) has the molecular formula C50H28N4O2 and a molecular weight of 716.80 g/mol. Its IUPAC name is 15-[3-(9-dibenzofuran-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.

Molecular Properties

Compound Name15-[3-(9-dibenzofuran-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
PubChem CID129297243
Molecular FormulaC50H28N4O2
Molecular Weight716.80 g/mol
Exact Mass716.22
IUPAC Name15-[3-(9-dibenzofuran-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
SMILESc1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)nc-2c13
InChIInChI=1S/C50H28N4O2/c1-5-15-40-32(10-1)36-26-29(20-23-42(36)53(40)31-22-25-46-38(28-31)34-12-3-7-17-44(34)55-46)30-21-24-43-37(27-30)33-11-2-6-16-41(33)54(43)50-51-39-14-9-19-47-48(39)49(52-50)35-13-4-8-18-45(35)56-47/h1-28H
InChIKeyCDCKXXJBNAKXPR-UHFFFAOYSA-N
XLogP13.16
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.80
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-[3-(9-dibenzofuran-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-[3-(9-dibenzofuran-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?
The IUPAC name of 15-[3-(9-dibenzofuran-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 129297243) is 15-[3-(9-dibenzofuran-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.
What is the SMILES notation for 15-[3-(9-dibenzofuran-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?
The canonical SMILES for 15-[3-(9-dibenzofuran-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 is c1ccc2c(c1)Oc1cccc3nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8ccccc8c7c6)ccc54)nc-2c13.
What is the InChIKey of 15-[3-(9-dibenzofuran-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?
The InChIKey is CDCKXXJBNAKXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2/c1-5-15-40-32(10-1)36-26-29(20-23-42(36)53(40)31-22-25-46-38(28-31)34-12-3-7-17-44(34)55-46)30-21-24-43-37(27-30)33-11-2-6-16-41(33)54(43)50-51-39-14-9-19-47-48(39)49(52-50)35-13-4-8-18-45(35)56-47/h1-28H.
What are the key properties of 15-[3-(9-dibenzofuran-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?
15-[3-(9-dibenzofuran-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 has a molecular weight of 716.80 g/mol, XLogP of 13.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-(9-dibenzofuran-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 is sourced from PubChem (CID 129297243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).