6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene

C56H37N3O — CID 134428179

IUPAC6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2ccccc2-4)cc1
InChIInChI=1S/C56H37N3O/c1-2-16-36(17-3-1)57-32-33-60-54-35-46-38-19-5-4-18-37(38)43-24-14-30-51(58-47-26-10-6-20-39(47)40-21-7-11-27-48(40)58)55(43)56-44(45(46)34-53(54)57)25-15-31-52(56)59-49-28-12-8-22-41(49)42-23-9-13-29-50(42)59/h1-31,34-35H,32-33H2/b43-37-,45-44-,46-38-,56-55-
InChIKeyFPETWVHFBBHLJV-YZONQXHXSA-N
MW767.93 g/mol
LogP14.39
Rot. Bonds3

About 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene

6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene (PubChem CID 134428179) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene.

Molecular Properties

Compound Name6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene
PubChem CID134428179
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC Name6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2ccccc2-4)cc1
InChIInChI=1S/C56H37N3O/c1-2-16-36(17-3-1)57-32-33-60-54-35-46-38-19-5-4-18-37(38)43-24-14-30-51(58-47-26-10-6-20-39(47)40-21-7-11-27-48(40)58)55(43)56-44(45(46)34-53(54)57)25-15-31-52(56)59-49-28-12-8-22-41(49)42-23-9-13-29-50(42)59/h1-31,34-35H,32-33H2/b43-37-,45-44-,46-38-,56-55-
InChIKeyFPETWVHFBBHLJV-YZONQXHXSA-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 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene?
The IUPAC name of 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene (CID 134428179) is 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene.
What is the SMILES notation for 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene?
The canonical SMILES for 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2ccccc2-4)cc1.
What is the InChIKey of 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene?
The InChIKey is FPETWVHFBBHLJV-YZONQXHXSA-N. The full InChI is InChI=1S/C56H37N3O/c1-2-16-36(17-3-1)57-32-33-60-54-35-46-38-19-5-4-18-37(38)43-24-14-30-51(58-47-26-10-6-20-39(47)40-21-7-11-27-48(40)58)55(43)56-44(45(46)34-53(54)57)25-15-31-52(56)59-49-28-12-8-22-41(49)42-23-9-13-29-50(42)59/h1-31,34-35H,32-33H2/b43-37-,45-44-,46-38-,56-55-.
What are the key properties of 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene?
6,9-di(carbazol-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(13),9,11,14,16,18,20,22(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 6,9-di(carbazol-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(13),9,11,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 134428179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).