2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole

C38H29BrN2O — CID 163420311

About 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole

2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole (PubChem CID 163420311) has the molecular formula C38H29BrN2O and a molecular weight of 609.57 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole
• PubChem CID: 163420311
• Molecular Formula: C38H29BrN2O
• Molecular Weight: 609.57 g/mol
• Exact Mass: 608.15
• IUPAC Name: 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole
• SMILES: CC1CC2=CC(C=C2)C1(c1ccccc1)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(Br)c4)cc32)c1
• InChI: InChI=1S/C38H29BrN2O/c1-25-20-26-14-15-28(21-26)38(25,27-8-3-2-4-9-27)29-18-19-40-37(22-29)41-35-13-6-5-12-33(35)34-17-16-32(24-36(34)41)42-31-11-7-10-30(39)23-31/h2-19,21-25,28H,20H2,1H3
• InChIKey: AHXFSSUPDQZUBV-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.57
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole?

The IUPAC name of 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole (CID 163420311) is 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole is CC1CC2=CC(C=C2)C1(c1ccccc1)c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(Br)c4)cc32)c1.

What is the InChIKey of 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole?

The InChIKey is AHXFSSUPDQZUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29BrN2O/c1-25-20-26-14-15-28(21-26)38(25,27-8-3-2-4-9-27)29-18-19-40-37(22-29)41-35-13-6-5-12-33(35)34-17-16-32(24-36(34)41)42-31-11-7-10-30(39)23-31/h2-19,21-25,28H,20H2,1H3.

What are the key properties of 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole?

2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole has a molecular weight of 609.57 g/mol, XLogP of 10.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-bromophenoxy)-9-[4-(3-methyl-2-phenyl-2-bicyclo[3.2.1]octa-5(8),6-dienyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 163420311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).