12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene

C55H36N4O — CID 134428223

IUPAC12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1
InChIInChI=1S/C55H36N4O/c1-2-15-35(16-3-1)57-31-32-60-52-34-44-43(33-51(52)57)41-22-13-29-50(59-47-26-10-6-19-38(47)39-20-7-11-27-48(39)59)54(41)53-40(42-23-14-30-56-55(42)44)21-12-28-49(53)58-45-24-8-4-17-36(45)37-18-5-9-25-46(37)58/h1-30,33-34H,31-32H2/b42-40-,43-41-,54-53-,55-44+
InChIKeyZYTARWIXFXMIGD-YNMLTTAFSA-N
MW768.92 g/mol
LogP13.79
Rot. Bonds3

About 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene

12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene (PubChem CID 134428223) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene.

Molecular Properties

Compound Name12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
PubChem CID134428223
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1
InChIInChI=1S/C55H36N4O/c1-2-15-35(16-3-1)57-31-32-60-52-34-44-43(33-51(52)57)41-22-13-29-50(59-47-26-10-6-19-38(47)39-20-7-11-27-48(39)59)54(41)53-40(42-23-14-30-56-55(42)44)21-12-28-49(53)58-45-24-8-4-17-36(45)37-18-5-9-25-46(37)58/h1-30,33-34H,31-32H2/b42-40-,43-41-,54-53-,55-44+
InChIKeyZYTARWIXFXMIGD-YNMLTTAFSA-N
XLogP13.79
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene?
The IUPAC name of 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene (CID 134428223) is 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene.
What is the SMILES notation for 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene?
The canonical SMILES for 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1.
What is the InChIKey of 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene?
The InChIKey is ZYTARWIXFXMIGD-YNMLTTAFSA-N. The full InChI is InChI=1S/C55H36N4O/c1-2-15-35(16-3-1)57-31-32-60-52-34-44-43(33-51(52)57)41-22-13-29-50(59-47-26-10-6-19-38(47)39-20-7-11-27-48(39)59)54(41)53-40(42-23-14-30-56-55(42)44)21-12-28-49(53)58-45-24-8-4-17-36(45)37-18-5-9-25-46(37)58/h1-30,33-34H,31-32H2/b42-40-,43-41-,54-53-,55-44+.
What are the key properties of 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene?
12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene has a molecular weight of 768.92 g/mol, XLogP of 13.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-di(carbazol-9-yl)-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene is sourced from PubChem (CID 134428223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).