6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole

C48H29NO3 — CID 163554857

About 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole

6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole (PubChem CID 163554857) has the molecular formula C48H29NO3 and a molecular weight of 667.76 g/mol. Its IUPAC name is 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole.

Molecular Properties

• Compound Name: 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
• PubChem CID: 163554857
• Molecular Formula: C48H29NO3
• Molecular Weight: 667.76 g/mol
• Exact Mass: 667.21
• IUPAC Name: 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
• SMILES: C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c76)c5c4)cc23)CC1
• InChI: InChI=1S/C48H29NO3/c1-2-8-32(9-3-1)49-40-12-6-4-10-33(40)36-24-28(14-19-41(36)49)30-16-21-44-38(26-30)35-18-23-46-47(48(35)52-44)39-27-31(17-22-45(39)51-46)29-15-20-43-37(25-29)34-11-5-7-13-42(34)50-43/h1-5,7-11,13-27H,6,12H2
• InChIKey: FMEBBGWOPVAWRF-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 44.35 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.76
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole?

The IUPAC name of 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole (CID 163554857) is 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole.

What is the SMILES notation for 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole?

The canonical SMILES for 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole is C1=Cc2c(n(-c3ccccc3)c3ccc(-c4ccc5oc6c(ccc7oc8ccc(-c9ccc%10oc%11ccccc%11c%10c9)cc8c76)c5c4)cc23)CC1.

What is the InChIKey of 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole?

The InChIKey is FMEBBGWOPVAWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO3/c1-2-8-32(9-3-1)49-40-12-6-4-10-33(40)36-24-28(14-19-41(36)49)30-16-21-44-38(26-30)35-18-23-46-47(48(35)52-44)39-27-31(17-22-45(39)51-46)29-15-20-43-37(25-29)34-11-5-7-13-42(34)50-43/h1-5,7-11,13-27H,6,12H2.

What are the key properties of 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole?

6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole has a molecular weight of 667.76 g/mol, XLogP of 13.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole is sourced from PubChem (CID 163554857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).