9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole

C54H32N2O2 — CID 59147353

About 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole

9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole (PubChem CID 59147353) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole.

Molecular Properties

• Compound Name: 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
• PubChem CID: 59147353
• Molecular Formula: C54H32N2O2
• Molecular Weight: 740.86 g/mol
• Exact Mass: 740.25
• IUPAC Name: 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
• SMILES: c1ccc(-c2cccc(-c3c4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)c2)cc1
• InChI: InChI=1S/C54H32N2O2/c1-2-13-33(14-3-1)34-15-12-16-35(29-34)52-53-44-31-37(56-47-23-10-6-19-40(47)41-20-7-11-24-48(41)56)26-28-50(44)57-51(53)32-43-42-30-36(25-27-49(42)58-54(43)52)55-45-21-8-4-17-38(45)39-18-5-9-22-46(39)55/h1-32H
• InChIKey: LSRBKWQIRUAYOB-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.86
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?

The IUPAC name of 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole (CID 59147353) is 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole.

What is the SMILES notation for 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?

The canonical SMILES for 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole is c1ccc(-c2cccc(-c3c4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4cc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c34)c2)cc1.

What is the InChIKey of 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?

The InChIKey is LSRBKWQIRUAYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-2-13-33(14-3-1)34-15-12-16-35(29-34)52-53-44-31-37(56-47-23-10-6-19-40(47)41-20-7-11-24-48(41)56)26-28-50(44)57-51(53)32-43-42-30-36(25-27-49(42)58-54(43)52)55-45-21-8-4-17-38(45)39-18-5-9-22-46(39)55/h1-32H.

What are the key properties of 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole?

9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[16-carbazol-9-yl-2-(3-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole is sourced from PubChem (CID 59147353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).