9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole

C53H34N2O2 — CID 155361180

About 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole

9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole (PubChem CID 155361180) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole.

Molecular Properties

• Compound Name: 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
• PubChem CID: 155361180
• Molecular Formula: C53H34N2O2
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.26
• IUPAC Name: 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole
• SMILES: CC(C)c1c2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c2cc2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c12
• InChI: InChI=1S/C53H34N2O2/c1-30(2)51-52-43-26-32-20-22-36(55-46-17-9-5-13-39(46)40-14-6-10-18-47(40)55)24-34(32)28-49(43)56-50(52)29-42-41-25-31-19-21-35(23-33(31)27-48(41)57-53(42)51)54-44-15-7-3-11-37(44)38-12-4-8-16-45(38)54/h3-30H,1-2H3
• InChIKey: BBEOZJFLPSTMRD-UHFFFAOYSA-N
• XLogP: 15.11
• TPSA: 36.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	15.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?

The IUPAC name of 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole (CID 155361180) is 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole.

What is the SMILES notation for 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?

The canonical SMILES for 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole is CC(C)c1c2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c2cc2oc3cc4cc(-n5c6ccccc6c6ccccc65)ccc4cc3c12.

What is the InChIKey of 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?

The InChIKey is BBEOZJFLPSTMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-30(2)51-52-43-26-32-20-22-36(55-46-17-9-5-13-39(46)40-14-6-10-18-47(40)55)24-34(32)28-49(43)56-50(52)29-42-41-25-31-19-21-35(23-33(31)27-48(41)57-53(42)51)54-44-15-7-3-11-37(44)38-12-4-8-16-45(38)54/h3-30H,1-2H3.

What are the key properties of 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole?

9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole has a molecular weight of 730.87 g/mol, XLogP of 15.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(23-carbazol-9-yl-2-propan-2-yl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl)carbazole is sourced from PubChem (CID 155361180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).