9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole

C56H36N2O2 — CID 59147542

About 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole

9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole (PubChem CID 59147542) has the molecular formula C56H36N2O2 and a molecular weight of 768.92 g/mol. Its IUPAC name is 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole.

Molecular Properties

• Compound Name: 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
• PubChem CID: 59147542
• Molecular Formula: C56H36N2O2
• Molecular Weight: 768.92 g/mol
• Exact Mass: 768.28
• IUPAC Name: 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
• SMILES: c1ccc(Cc2c(Cc3ccccc3)c3c4cc(-n5c6ccccc6c6ccccc65)ccc4oc3c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)cc1
• InChI: InChI=1S/C56H36N2O2/c1-3-15-35(16-4-1)31-43-44(32-36-17-5-2-6-18-36)54-46-34-38(58-49-25-13-9-21-41(49)42-22-10-14-26-50(42)58)28-30-52(46)60-56(54)55-53(43)45-33-37(27-29-51(45)59-55)57-47-23-11-7-19-39(47)40-20-8-12-24-48(40)57/h1-30,33-34H,31-32H2
• InChIKey: ACYPVUZQVJPGKI-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	768.92
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole?

The IUPAC name of 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole (CID 59147542) is 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole.

What is the SMILES notation for 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole?

The canonical SMILES for 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole is c1ccc(Cc2c(Cc3ccccc3)c3c4cc(-n5c6ccccc6c6ccccc65)ccc4oc3c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c23)cc1.

What is the InChIKey of 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole?

The InChIKey is ACYPVUZQVJPGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O2/c1-3-15-35(16-4-1)31-43-44(32-36-17-5-2-6-18-36)54-46-34-38(58-49-25-13-9-21-41(49)42-22-10-14-26-50(42)58)28-30-52(46)60-56(54)55-53(43)45-33-37(27-29-51(45)59-55)57-47-23-11-7-19-39(47)40-20-8-12-24-48(40)57/h1-30,33-34H,31-32H2.

What are the key properties of 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole?

9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole has a molecular weight of 768.92 g/mol, XLogP of 14.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(11,12-dibenzyl-16-carbazol-9-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole is sourced from PubChem (CID 59147542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).