9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole

C48H29NO2 — CID 146647922

About 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole

9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole (PubChem CID 146647922) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
• PubChem CID: 146647922
• Molecular Formula: C48H29NO2
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.22
• IUPAC Name: 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5n(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)c4c3)c2)cc1
• InChI: InChI=1S/C48H29NO2/c1-3-11-30(12-4-1)33-23-34(31-13-5-2-6-14-31)25-35(24-33)32-19-21-38-37-15-7-9-17-43(37)49(44(38)26-32)36-20-22-46-40(27-36)42-28-41-39-16-8-10-18-45(39)50-47(41)29-48(42)51-46/h1-29H
• InChIKey: HJBMILGBODDQSS-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 31.21 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole?

The IUPAC name of 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole (CID 146647922) is 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole.

What is the SMILES notation for 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole?

The canonical SMILES for 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5n(-c5ccc6oc7cc8oc9ccccc9c8cc7c6c5)c4c3)c2)cc1.

What is the InChIKey of 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole?

The InChIKey is HJBMILGBODDQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-3-11-30(12-4-1)33-23-34(31-13-5-2-6-14-31)25-35(24-33)32-19-21-38-37-15-7-9-17-43(37)49(44(38)26-32)36-20-22-46-40(27-36)42-28-41-39-16-8-10-18-45(39)50-47(41)29-48(42)51-46/h1-29H.

What are the key properties of 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole?

9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole has a molecular weight of 651.77 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 146647922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).