19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene

C48H29N3O — CID 129223586

IUPAC19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c6c7ccccc7n7c6c(cc54)Oc4ccccc4-7)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H29N3O/c1-3-13-30(14-4-1)31-23-25-40-36(27-31)37-28-33(24-26-41(37)49(40)32-15-5-2-6-16-32)50-38-19-9-7-17-34(38)46-43(50)29-45-48-47(46)35-18-8-10-20-39(35)51(48)42-21-11-12-22-44(42)52-45/h1-29H
InChIKeyYCTKDOWGUGEYRR-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.75
Rot. Bonds3

About 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene

19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene (PubChem CID 129223586) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene.

Molecular Properties

Compound Name19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
PubChem CID129223586
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene
SMILESc1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c6c7ccccc7n7c6c(cc54)Oc4ccccc4-7)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H29N3O/c1-3-13-30(14-4-1)31-23-25-40-36(27-31)37-28-33(24-26-41(37)49(40)32-15-5-2-6-16-32)50-38-19-9-7-17-34(38)46-43(50)29-45-48-47(46)35-18-8-10-20-39(35)51(48)42-21-11-12-22-44(42)52-45/h1-29H
InChIKeyYCTKDOWGUGEYRR-UHFFFAOYSA-N
XLogP12.75
TPSA24.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The IUPAC name of 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene (CID 129223586) is 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene.
What is the SMILES notation for 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The canonical SMILES for 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene is c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5c6c7ccccc7n7c6c(cc54)Oc4ccccc4-7)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
The InChIKey is YCTKDOWGUGEYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-3-13-30(14-4-1)31-23-25-40-36(27-31)37-28-33(24-26-41(37)49(40)32-15-5-2-6-16-32)50-38-19-9-7-17-34(38)46-43(50)29-45-48-47(46)35-18-8-10-20-39(35)51(48)42-21-11-12-22-44(42)52-45/h1-29H.
What are the key properties of 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene?
19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene has a molecular weight of 663.78 g/mol, XLogP of 12.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(6,9-diphenylcarbazol-3-yl)-15-oxa-8,19-diazaheptacyclo[14.10.1.02,7.08,27.09,14.018,26.020,25]heptacosa-1(26),2,4,6,9,11,13,16(27),17,20,22,24-dodecaene is sourced from PubChem (CID 129223586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).