6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene

C56H37N3O — CID 134428187

IUPAC6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2ccccc2-4)cc1
InChIInChI=1S/C56H37N3O/c1-2-15-36(16-3-1)57-31-32-60-55-35-47-40-19-5-4-17-38(40)39-18-6-7-23-44(39)56-45(46(47)34-54(55)57)24-14-28-53(56)59-51-27-13-10-22-43(51)48-33-37(29-30-52(48)59)58-49-25-11-8-20-41(49)42-21-9-12-26-50(42)58/h1-30,33-35H,31-32H2/b39-38-,46-45-,47-40-,56-44+
InChIKeyDBCAVTSNFIASDB-KIPYFAPESA-N
MW767.93 g/mol
LogP14.39
Rot. Bonds3

About 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene

6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene (PubChem CID 134428187) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene.

Molecular Properties

Compound Name6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
PubChem CID134428187
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC Name6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2ccccc2-4)cc1
InChIInChI=1S/C56H37N3O/c1-2-15-36(16-3-1)57-31-32-60-55-35-47-40-19-5-4-17-38(40)39-18-6-7-23-44(39)56-45(46(47)34-54(55)57)24-14-28-53(56)59-51-27-13-10-22-43(51)48-33-37(29-30-52(48)59)58-49-25-11-8-20-41(49)42-21-9-12-26-50(42)58/h1-30,33-35H,31-32H2/b39-38-,46-45-,47-40-,56-44+
InChIKeyDBCAVTSNFIASDB-KIPYFAPESA-N
XLogP14.39
TPSA22.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 514.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene (CID 134428187) is 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene.
What is the SMILES notation for 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The canonical SMILES for 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2ccccc2-4)cc1.
What is the InChIKey of 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The InChIKey is DBCAVTSNFIASDB-KIPYFAPESA-N. The full InChI is InChI=1S/C56H37N3O/c1-2-15-36(16-3-1)57-31-32-60-55-35-47-40-19-5-4-17-38(40)39-18-6-7-23-44(39)56-45(46(47)34-54(55)57)24-14-28-53(56)59-51-27-13-10-22-43(51)48-33-37(29-30-52(48)59)58-49-25-11-8-20-41(49)42-21-9-12-26-50(42)58/h1-30,33-35H,31-32H2/b39-38-,46-45-,47-40-,56-44+.
What are the key properties of 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene has a molecular weight of 767.93 g/mol, XLogP of 14.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).