9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole

C36H26BNO2 — CID 144879351

About 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole

9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole (PubChem CID 144879351) has the molecular formula C36H26BNO2 and a molecular weight of 515.42 g/mol. Its IUPAC name is 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole
• PubChem CID: 144879351
• Molecular Formula: C36H26BNO2
• Molecular Weight: 515.42 g/mol
• Exact Mass: 515.21
• IUPAC Name: 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole
• SMILES: C/C=C\C1=C(C)Oc2cccc3c2B1c1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)ccc1O3
• InChI: InChI=1S/C36H26BNO2/c1-3-9-29-23(2)39-34-14-8-15-35-36(34)37(29)30-22-25(18-21-33(30)40-35)24-16-19-26(20-17-24)38-31-12-6-4-10-27(31)28-11-5-7-13-32(28)38/h3-22H,1-2H3/b9-3-
• InChIKey: KPPYLDYQRPKROD-OQFOIZHKSA-N
• XLogP: 7.95
• TPSA: 23.39 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.42
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole (CID 144879351) is 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole is C/C=C\C1=C(C)Oc2cccc3c2B1c1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)ccc1O3.

What is the InChIKey of 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole?

The InChIKey is KPPYLDYQRPKROD-OQFOIZHKSA-N. The full InChI is InChI=1S/C36H26BNO2/c1-3-9-29-23(2)39-34-14-8-15-35-36(34)37(29)30-22-25(18-21-33(30)40-35)24-16-19-26(20-17-24)38-31-12-6-4-10-27(31)28-11-5-7-13-32(28)38/h3-22H,1-2H3/b9-3-.

What are the key properties of 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole?

9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole has a molecular weight of 515.42 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[15-methyl-16-[(Z)-prop-1-enyl]-8,14-dioxa-1-boratetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9(17),10,12,15-heptaen-4-yl]phenyl]carbazole is sourced from PubChem (CID 144879351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).