9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C86H52Br2ClN3 — CID 157456859

About 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 157456859) has the molecular formula C86H52Br2ClN3 and a molecular weight of 1322.64 g/mol. Its IUPAC name is 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 157456859
• Molecular Formula: C86H52Br2ClN3
• Molecular Weight: 1322.64 g/mol
• Exact Mass: 1319.22
• IUPAC Name: 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32.Brc1ccccc1-n1c2ccccc2c2ccccc21.Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1
• InChI: InChI=1S/C37H22ClN.C31H18BrN.C18H12BrN/c38-25-19-16-23(17-20-25)24-18-21-27-26-8-1-3-11-30(26)37(33(27)22-24)31-12-4-6-15-35(31)39-34-14-5-2-9-28(34)29-10-7-13-32(37)36(29)39;32-19-16-17-21-20-8-1-3-11-24(20)31(27(21)18-19)25-12-4-6-15-29(25)33-28-14-5-2-9-22(28)23-10-7-13-26(31)30(23)33;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-22H;1-18H;1-12H
• InChIKey: BTLRFBSTOHMIMY-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1322.64
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 157456859) is 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is Brc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-n2c3ccccc3c3cccc1c32.Brc1ccccc1-n1c2ccccc2c2ccccc21.Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-n3c4ccccc4c4cccc2c43)cc1.

What is the InChIKey of 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is BTLRFBSTOHMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN.C31H18BrN.C18H12BrN/c38-25-19-16-23(17-20-25)24-18-21-27-26-8-1-3-11-30(26)37(33(27)22-24)31-12-4-6-15-35(31)39-34-14-5-2-9-28(34)29-10-7-13-32(37)36(29)39;32-19-16-17-21-20-8-1-3-11-24(20)31(27(21)18-19)25-12-4-6-15-29(25)33-28-14-5-2-9-22(28)23-10-7-13-26(31)30(23)33;19-15-9-3-6-12-18(15)20-16-10-4-1-7-13(16)14-8-2-5-11-17(14)20/h1-22H;1-18H;1-12H.

What are the key properties of 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 1322.64 g/mol, XLogP of 23.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-bromophenyl)carbazole;2'-bromospiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene];2'-(4-chlorophenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 157456859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).