15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene

C55H36N4O — CID 134428219

IUPAC15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2cccnc2-4)cc1
InChIInChI=1S/C55H36N4O/c1-2-14-35(15-3-1)57-30-31-60-53-34-46-44(33-52(53)57)42-21-12-26-51(54(42)41-20-5-4-16-37(41)43-22-13-29-56-55(43)46)59-49-25-11-8-19-40(49)45-32-36(27-28-50(45)59)58-47-23-9-6-17-38(47)39-18-7-10-24-48(39)58/h1-29,32-34H,30-31H2/b43-37-,44-42-,54-41+,55-46+
InChIKeyWJLIOHUGMKDJCZ-XWUBFNDDSA-N
MW768.92 g/mol
LogP13.79
Rot. Bonds3

About 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene

15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene (PubChem CID 134428219) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene.

Molecular Properties

Compound Name15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene
PubChem CID134428219
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC Name15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2cccnc2-4)cc1
InChIInChI=1S/C55H36N4O/c1-2-14-35(15-3-1)57-30-31-60-53-34-46-44(33-52(53)57)42-21-12-26-51(54(42)41-20-5-4-16-37(41)43-22-13-29-56-55(43)46)59-49-25-11-8-19-40(49)45-32-36(27-28-50(45)59)58-47-23-9-6-17-38(47)39-18-7-10-24-48(39)58/h1-29,32-34H,30-31H2/b43-37-,44-42-,54-41+,55-46+
InChIKeyWJLIOHUGMKDJCZ-XWUBFNDDSA-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 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(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 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene?
The IUPAC name of 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene (CID 134428219) is 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene.
What is the SMILES notation for 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene?
The canonical SMILES for 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc53)c2-c2ccccc2-c2cccnc2-4)cc1.
What is the InChIKey of 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene?
The InChIKey is WJLIOHUGMKDJCZ-XWUBFNDDSA-N. The full InChI is InChI=1S/C55H36N4O/c1-2-14-35(15-3-1)57-30-31-60-53-34-46-44(33-52(53)57)42-21-12-26-51(54(42)41-20-5-4-16-37(41)43-22-13-29-56-55(43)46)59-49-25-11-8-19-40(49)45-32-36(27-28-50(45)59)58-47-23-9-6-17-38(47)39-18-7-10-24-48(39)58/h1-29,32-34H,30-31H2/b43-37-,44-42-,54-41+,55-46+.
What are the key properties of 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene?
15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(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 15-(3-carbazol-9-ylcarbazol-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),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene is sourced from PubChem (CID 134428219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).