5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]

C32H19Br — CID 153308816

About 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]

5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene] (PubChem CID 153308816) has the molecular formula C32H19Br and a molecular weight of 483.41 g/mol. Its IUPAC name is 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene].

Molecular Properties

• Compound Name: 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]
• PubChem CID: 153308816
• Molecular Formula: C32H19Br
• Molecular Weight: 483.41 g/mol
• Exact Mass: 482.07
• IUPAC Name: 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]
• SMILES: Brc1cc2c3c(cccc3c1)C21c2cccc3cccc(c23)Cc2cccc3cccc1c23
• InChI: InChI=1S/C32H19Br/c33-24-17-23-12-5-15-27-31(23)28(18-24)32(27)25-13-3-8-19-6-1-10-21(29(19)25)16-22-11-2-7-20-9-4-14-26(32)30(20)22/h1-15,17-18H,16H2
• InChIKey: DTMXAEHIEBEDBH-UHFFFAOYSA-N
• XLogP: 8.51
• TPSA: 0.00 Ų
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.41
LogP ≤ 5	8.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]?

The IUPAC name of 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene] (CID 153308816) is 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene].

What is the SMILES notation for 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]?

The canonical SMILES for 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene] is Brc1cc2c3c(cccc3c1)C21c2cccc3cccc(c23)Cc2cccc3cccc1c23.

What is the InChIKey of 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]?

The InChIKey is DTMXAEHIEBEDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19Br/c33-24-17-23-12-5-15-27-31(23)28(18-24)32(27)25-13-3-8-19-6-1-10-21(29(19)25)16-22-11-2-7-20-9-4-14-26(32)30(20)22/h1-15,17-18H,16H2.

What are the key properties of 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]?

5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene] has a molecular weight of 483.41 g/mol, XLogP of 8.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5'-bromospiro[pentacyclo[11.7.1.13,7.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene] is sourced from PubChem (CID 153308816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).